SCHEMBL6544164

SCHEMBL6544164

O=CCC(CC=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KCNN4 O15554 2/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C19 P33261 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP1A2 P05177 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
PTPN1 P18031 1/20 0.33

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
SCHEMBL440368 0.80 KIF11 (0.41) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL7848935 0.79 ALDH1A1 (0.34) ALDH1A1TSHRHTT
SCHEMBL27565434 0.78 ALDH1A1 (0.46) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL10722640 0.76 ALDH1A1 (0.38) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL6991557 0.76 CYP2C9 (0.44) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL8009556 0.76 ALDH1A1 (0.42) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL7074475 0.76 ALDH1A1 (0.38) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL7438264 0.76 TSHR (0.44) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL9340359 0.76 CYP2C19 (0.42) ALDH1A1TSHRHTTMEN1LMNA
SCHEMBL1125158 0.76 TAAR1 (0.52) ALDH1A1TSHRHTTKMT2AKCNN4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946356-A Preparation method of benzimidazole/silica-based organic-inorganic hybrid dynamic polyimide material 江苏海洋大学 2024-04-30 CN claimed
CN-111763351-B Reactive phosphaphenanthrene/phosphite ester biradical flame retardant, preparation method and application thereof 北京工商大学 2021-08-31 CN claimed
CN-111763351-A Reactive phosphaphenanthrene/phosphite ester biradical flame retardant, preparation method and application thereof 北京工商大学 2020-10-13 CN claimed
CN-117946356-A Preparation method of benzimidazole/silica-based organic-inorganic hybrid dynamic polyimide material 江苏海洋大学 2024-04-30 CN disclosed
CN-111763351-B Reactive phosphaphenanthrene/phosphite ester biradical flame retardant, preparation method and application thereof 北京工商大学 2021-08-31 CN disclosed
CN-111763351-A Reactive phosphaphenanthrene/phosphite ester biradical flame retardant, preparation method and application thereof 北京工商大学 2020-10-13 CN disclosed
EP-1372703-A2 MATRIX STABILIZED ENZYME CRYSTALS AND METHODS OF USE IBEX TECHNOLOGIES (CA) 2004-01-02 EP disclosed
US-20020182201-A1 Matrix stabilized enzyme crystals and methods of use BIOMARIN PHARMACEUTICAL INC. 2002-12-05 US disclosed
WO-2002070646-A2 MATRIX STABILIZED ENZYME CRYSTALS AND METHODS OF USE IBEX TECHNOLOGIES (US) 2002-09-12 WO disclosed
US-4742068-A Dihydropyridine compounds having 1,4,4-trisubstitution useful as antihypertensive agents MCNEILAB, INC. (US) 1988-05-03 US disclosed