SCHEMBL21446957

SCHEMBL21446957

COc1ccc(C(F)(F)F)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 2/20 0.44
▸ PGR P06401 2/20 0.44
▸ AR P10275 2/20 0.44
▸ EPHX2 P34913 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ ACHE P22303 2/20 0.39
▸ CYP26A1 O43174 1/20 0.39
▸ CYP24A1 Q07973 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ HTR3A P46098 1/20 0.39

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
SCHEMBL5358422 0.84 KDM4E (0.39) CYP11B1CYP11B2GAACA12CA1
SCHEMBL2900162 0.83 EPHX2 (0.44) CYP11B1CYP11B2PGRAREPHX2
SCHEMBL4628852 0.83 EPHX2 (0.46) CYP11B1CYP11B2PGRAREPHX2
SCHEMBL26375160 0.82 GPR3 (0.45) GAACYP1A2
SCHEMBL17287109 0.81 KCNJ11 (0.42) ARGAA
SCHEMBL179542 0.81 GAA (0.47) GAACA12CA1CA2CA7
SCHEMBL17286686 0.80 HSD11B1 (0.45) PGRARGAA
SCHEMBL31193485 0.79 CA12 (0.56) CYP11B1CYP11B2PGRARGAA
SCHEMBL7909509 0.79 CA12 (0.56) CYP11B1CYP11B2PGRARGAA
SCHEMBL15305003 0.79 CYP11B2 (0.59) CYP11B1CYP11B2PGRAREPHX2

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-2019195159-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-10-10 — — WO disclosed
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