SCHEMBL16384615

SCHEMBL16384615

CC12CCC3c4ccc(OCc5ccccc5)cc4CCC3C1[C@H](CCC(=O)O)CC2=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ STS P08842 3/20 0.53
▸ HRH3 Q9Y5N1 12/20 0.51
▸ CYP3A4 P08684 1/20 0.49
▸ KCNH2 Q12809 2/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47

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
SCHEMBL962193 1.00 USP2 (0.56) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL962194 1.00 USP2 (0.56) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL217619 0.95 USP2 (0.55) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL217620 0.95 USP2 (0.55) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL962403 0.93 MAPT (0.54) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL962405 0.93 MAPT (0.54) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL220244 0.91 USP2 (0.58) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL220243 0.91 USP2 (0.58) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL217880 0.90 USP2 (0.56) USP2MAPTMAPK1KDM4EALDH1A1
SCHEMBL2738503 0.90 USP2 (0.56) USP2MAPTMAPK1KDM4EALDH1A1

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
WO-2014207311-A1 THERAPEUTICALLY ACTIVE ESTRATRIENTHIAZOLE DERIVATIVES AS INHIBITORS OF 17.BETA.-HYDROXY-STEROID DEHYDROGENASE, TYPE 1 FORENDO PHARMA LTD (FI) 2014-12-31 — — WO disclosed
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