SCHEMBL15212672

SCHEMBL15212672

CCc1sc2cc(OCc3cc(C)nn3C)ccc2c1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.45
▸ ESR1 P03372 8/20 0.37
▸ ESR2 Q92731 3/20 0.37
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TBXAS1 P24557 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ PFKFB3 Q16875 1/20 0.31
▸ RORC P51449 1/20 0.31

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
SCHEMBL15212692 0.87 ESR1 (0.35) FFAR1ESR1ESR2MEN1KMT2A
SCHEMBL15212693 0.79 FFAR1 (0.45) FFAR1ESR1MEN1KMT2ATBXAS1
SCHEMBL15211694 0.77 IKBKB (0.36) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL15211500 0.75 ESR1 (0.39) FFAR1ESR1ESR2KDM4EALDH1A1
SCHEMBL15211431 0.75 TP53 (0.35) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL15211853 0.74 MBOAT4 (0.43) FFAR1ESR1ESR2
SCHEMBL15211424 0.73 ESR1 (0.45) ESR1ESR2KDM4ECNR2HTT
SCHEMBL15211206 0.73 PPARD (0.39) FFAR1ESR1ESR2
SCHEMBL15212674 0.71 FFAR1 (0.48) FFAR1MEN1KMT2ATBXAS1ALDH1A1
SCHEMBL15212691 0.71 PPARD (0.54) FFAR1MEN1KMT2AALOX5APALDH1A1

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-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 — — EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 — — WO disclosed
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