SCHEMBL27520658

SCHEMBL27520658

Sc1ccccc1-c1cccc2cc3ccccc3cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
HSD17B10 Q99714 6/20 0.40
HPGD P15428 4/20 0.40
HIF1A Q16665 3/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 3/20 0.40
CASP1 P29466 3/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
CASP7 P55210 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
CYP1B1 Q16678 1/20 0.38
CES1 P23141 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 3/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL29354014 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL2871930 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL27506937 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL29538643 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL537002 0.84 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL513014 0.82 ALDH1A1 (0.45) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL28471051 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL440879 0.80 ALDH1A1 (0.54) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL29390672 0.80 ALDH1A1 (0.44) ALDH1A1HSD17B10HPGDHIF1ATSHR
SCHEMBL1436826 0.80 PTPN1 (0.46) ALDH1A1HSD17B10HPGDTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107022329-B Aqueous adhesive composition and use thereof 日东电工株式会社 2024-05-28 CN disclosed
CN-1200915-C Process for preparing organic compound MITSUI CHEMICALS INC (JP) 2005-05-11 CN disclosed
CN-1235141-A Process for preparing organic compound MITSUI CHEMICALS INC (JP) 1999-11-17 CN disclosed