SCHEMBL29249276

SCHEMBL29249276

c1ccc2c(c1)Cc1c-2cccc1-c1cc2ccccc2c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
HIF1A Q16665 2/20 0.47
CASP1 P29466 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PNMT P11086 1/20 0.46
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
ACHE P22303 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
BCHE P06276 1/20 0.41
NISCH Q9Y2I1 1/20 0.39
TRPM4 Q8TD43 1/20 0.38
HTR7 P34969 4/20 0.38

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
SCHEMBL29555007 0.83 PNMT (0.50) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL6675750 0.83 PNMT (0.50) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL5048009 0.82 PNMT (0.46) ALDH1A1HSD17B10HPGDTSHRMAPK1
Fluorene SCHEMBL28444035 0.81 PNMT (0.49) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL30103334 0.80 PNMT (0.63) ALDH1A1HPGDPNMTCA1CA2
SCHEMBL524602 0.80 PNMT (0.63) ALDH1A1HPGDPNMTCA1CA2
SCHEMBL29249295 0.80 PNMT (0.42) ALDH1A1HSD17B10HPGDTSHRHIF1A
SCHEMBL27656924 0.79 ALOX5 (0.41) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL27968752 0.79 HTR7 (0.47) ALDH1A1HSD17B10HPGDTSHRMAPK1
SCHEMBL2486633 0.79 HPRT1 (0.50) ALDH1A1HSD17B10HPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118176235-A Thermoplastic resin and optical member 帝人株式会社 2024-06-11 CN disclosed