SCHEMBL2171647

SCHEMBL2171647

CCCCc1ccccc1C([O])=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
LIPG Q9Y5X9 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
FOLH1 Q04609 1/20 0.43
BID P55957 3/20 0.42
MCL1 Q07820 3/20 0.42
BCL2L1 Q07817 2/20 0.42
BAK1 Q16611 2/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8059017 0.94 LIPG (0.53) TSHRLIPGHTTALDH1A1LMNA
SCHEMBL10779449 0.93 LIPG (0.56) TSHRLIPGALDH1A1LMNABID
SCHEMBL11026928 0.93 LIPG (0.56) TSHRLIPGALDH1A1LMNABID
SCHEMBL5690419 0.88 ALDH1A1 (0.47) TSHRHTTTDP1L3MBTL1ALDH1A1
SCHEMBL1404026 0.86 TSHR (0.47) TSHRLIPGHTTTDP1L3MBTL1
SCHEMBL2567958 0.86 TSHR (0.47) TSHRLIPGHTTTDP1L3MBTL1
SCHEMBL1131361 0.85 TSHR (0.46) TSHRLIPGHTTTDP1L3MBTL1
SCHEMBL165530 0.85 FOLH1 (0.61) TSHRALDH1A1CYP3A4TP53MAPK1
Bicarbonate SCHEMBL27586024 0.84 LIPG (0.52) LIPGALDH1A1CYP3A4BIDMCL1
SCHEMBL7148303 0.83 FOLH1 (0.59) TSHRALDH1A1CYP3A4TP53MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109535205-A A kind of platinum complex containing tetradentate ligands and aryloxy derivatives 浙江工业大学 2019-03-29 CN claimed
CN-109608506-B Quadrivalent metal platinum complex containing tetradentate ligand, preparation method, application and device 浙江工业大学 2021-08-06 CN disclosed
CN-109535205-A A kind of platinum complex containing tetradentate ligands and aryloxy derivatives 浙江工业大学 2019-03-29 CN disclosed
WO-2016098015-A1 NEW EFFICIENT METHODS FOR THE SYNTHESIS OF TAXANE DERIVATIVES SUCH AS DOCETAXEL AND THEIR STRUCTURAL ANALOGOUS, AND A METHOD FOR THE PREPARATION THEREOF KARIMIAN KHASHAYAR (IR) 2016-06-23 WO disclosed
EP-2346883-A2 SELF DELIVERING BIO-LABILE PHOSPHATE PROTECTED PRO-OLIGOS FOR OLIGONUCLEOTIDE BASED THERAPEUTICS AND MEDIATING RNA INTERFERENCE Traversa Therapeutics, Inc. (US) 2011-07-27 EP disclosed
WO-2008032104-A1 ONE POT SYNTHESIS OF TAXANE DERIVATIVES AND THEIR CONVERSION TO PACLITAXEL AND DOCETAXEL CHATHAM BIOTEC LTD. (CA) 2008-03-20 WO disclosed
EP-1797058-A2 SEMI-SYNTHETIC CONVERSION OF PACLITAXEL TO DOCETAXEL Chatham Biotec Ltd. (CA) 2007-06-20 EP disclosed
EP-1786859-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-05-23 EP disclosed
WO-2006024610-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 WO disclosed
WO-2006004898-A2 SEMI-SYNTHETIC CONVERSION OF PACLITAXEL TO DOCETAXEL CHATHAM BIOTEC LTD (CA) 2006-01-12 WO disclosed
EP-0087248-B2 LIQUID CRYSTAL COMPOSITION CONTAINING AZO DYES MITSUBISHI KASEI CORPORATION (JP) 1989-02-08 EP disclosed
US-4737310-A PLEOCHROIC MITSUBISHI CHEMICAL INDUSTRIES (JP) 1988-04-12 US disclosed
EP-0080153-B1 PLEOCHROIC AZO DYES, A LIQUID CRYSTAL COMPOSITION CONTAINING THE AZO DYES AND A DISPLAY DEVICE USING THE LIQUID CRYSTAL COMPOSITION MITSUBISHI KASEI CORPORATION (JP) 1987-04-08 EP disclosed
US-4600527-A AZO DYES, MULT&COLOR, PHOTOCHROMIC MITSUBISHI CHEMICAL INDUSTRIES (JP) 1986-07-15 US disclosed
US-4493532-A Pleochroic azo dyes, a liquid crystal composition containing the azo dyes and a display device using the liquid crystal composition HITACHI, LTD. (JP) 1985-01-15 US disclosed
EP-0087248-A1 Liquid crystal composition containing azo dyes MITSUBISHI KASEI CORPORATION (JP) 1983-08-31 EP disclosed
EP-0080153-A1 Pleochroic azo dyes, a liquid crystal composition containing the azo dyes and a display device using the liquid crystal composition MITSUBISHI KASEI CORPORATION (JP) 1983-06-01 EP disclosed
EP-0001965-B1 PROCESS FOR THE PREPARATION OF FOAMED MATERIALS BAYER AG (DE) 1982-12-15 EP disclosed