SCHEMBL2738559

SCHEMBL2738559

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1[C@@H](CCCCNC(=O)c1ccc(F)cc1)CC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 4/20 0.46
▸ STS P08842 3/20 0.46
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 3/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SHBG P04278 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ SERPINA6 P08185 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ AR P10275 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ SNCA P37840 1/20 0.46
▸ HTR2B P41595 1/20 0.46

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
SCHEMBL217615 1.00 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL217616 1.00 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL14087307 0.99 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL218401 0.91 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL218402 0.91 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL2738560 0.91 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL2738563 0.90 LMNA (0.47) HSD17B1LMNAMAPTHSD17B10AKR1C3
SCHEMBL217379 0.90 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL2738557 0.90 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10
SCHEMBL217380 0.90 HSD17B1 (0.46) HSD17B1STSESR1ESR2AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
US-8088758-B2 17β-hydroxysteroid dehydrogenase type I inhibitors ABBOTT PRODUCTS GMBH (DE) 2012-01-03 — — US disclosed
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