SCHEMBL16384605

SCHEMBL16384605

C=CC[C@@H]1CC(=O)C2(C)CCC3c4ccc(OCc5ccccc5)cc4CCC3C12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HRH3 Q9Y5N1 7/20 0.52
▸ KDM4E B2RXH2 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ STS P08842 5/20 0.47
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HSD17B1 P14061 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ AKR1C3 P42330 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44

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
SCHEMBL6026512 1.00 MAPT (0.55) MAPTUSP2MAPK1HRH3KDM4E
SCHEMBL216758 1.00 MAPT (0.55) MAPTUSP2MAPK1HRH3KDM4E
SCHEMBL16380827 1.00 MAPT (0.55) MAPTUSP2MAPK1HRH3KDM4E
SCHEMBL218239 0.90 MAPT (0.52) MAPTUSP2MAPK1HRH3KDM4E
SCHEMBL218440 0.89 MAPT (0.57) MAPTUSP2MAPK1HRH3KDM4E
SCHEMBL219511 0.89 MAPT (0.57) MAPTUSP2MAPK1HRH3KDM4E
SCHEMBL220192 0.89 MAPT (0.60) MAPTUSP2MAPK1HRH3KDM4E
SCHEMBL217697 0.89 MAPT (0.60) MAPTUSP2MAPK1HRH3KDM4E
SCHEMBL219223 0.89 MAPT (0.57) MAPTUSP2MAPK1HRH3KDM4E
SCHEMBL962992 0.87 MAPT (0.53) MAPTUSP2MAPK1HRH3KDM4E

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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