SCHEMBL30278489

SCHEMBL30278489

CC1(C)OB(c2ccc(C3CCC(C(F)(F)F)CC3)cc2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.44
LIPG Q9Y5X9 12/20 0.44
F11 P03951 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
HIF1A Q16665 1/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
ESR2 Q92731 1/20 0.33

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
SCHEMBL16112310 0.87 LPL (0.52) LPLLIPGF11HIF1ACA1
SCHEMBL14804365 0.87 LPL (0.52) LPLLIPGF11HIF1ACA1
SCHEMBL25073023 0.87 LPL (0.42) LPLLIPGF11F2PRSS1
SCHEMBL20428742 0.81 ESR2 (0.49) LPLLIPGF11HIF1ACA1
SCHEMBL3708268 0.81 LPL (0.49) LPLLIPGF11HIF1ACA1
SCHEMBL3136657 0.81 HIF1A (0.49) LPLLIPGF11HIF1ACA1
SCHEMBL19297425 0.80 LPL (0.45) LPLLIPGF11F2PRSS1
SCHEMBL16394142 0.80 ESR2 (0.49) LPLLIPGF11HIF1ACA1
SCHEMBL16394141 0.80 ESR2 (0.49) LPLLIPGF11HIF1ACA1
SCHEMBL16669514 0.80 ESR2 (0.49) LPLLIPGF11HIF1ACA1

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
EP-4387603-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF Enanta Pharmaceuticals, Inc. (US) 2024-06-26 EP disclosed
WO-2023023310-A1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 13 INHIBITORS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2023-02-23 WO disclosed