SCHEMBL30278498

SCHEMBL30278498

C#Cc1ccc(F)c(OC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
PDE2A O00408 1/20 0.33
PTPN1 P18031 2/20 0.33
KCNN4 O15554 7/20 0.32
TRPA1 O75762 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL25072879 1.00 EPHX2 (0.36) EPHX2IDO1TDO2PDE2APTPN1
SCHEMBL4400713 0.85 EPHX2 (0.46) EPHX2PDE2APTPN1
SCHEMBL16957535 0.81 EPHX2 (0.36) EPHX2IDO1TDO2PDE2AKCNN4
SCHEMBL28194011 0.81 HRH4 (0.41) EPHX2TRPA1
SCHEMBL29265561 0.77 KCNJ1 (0.37) TRPA1
SCHEMBL12436312 0.77 AMY1A (0.37)
SCHEMBL29376896 0.73 EPAS1 (0.33) EPHX2PTPN1
SCHEMBL26979442 0.73 EPAS1 (0.33) EPHX2PTPN1
SCHEMBL7931554 0.72 EPAS1 (0.42) EPHX2IDO1TDO2PDE2AKCNN4
SCHEMBL3935869 0.71 ADRA2B (0.41) EPHX2PTPN1

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 3 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
CN-118103038-A 17 Beta-hydroxysteroid dehydrogenase 13 inhibitors and methods of use thereof 英安塔制药有限公司 2024-05-28 CN 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