SCHEMBL8693697

SCHEMBL8693697

COC(=O)C(C)n1nnc2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ TTR P02766 1/20 0.45
▸ PPOX P50336 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ KDR P35968 1/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.39
▸ EGFR P00533 3/20 0.38
▸ ERBB2 P04626 3/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ERBB3 P21860 1/20 0.37

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
SCHEMBL8825590 0.93 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8695832 0.85 LMNA (0.46) MEN1TTRPPOXKMT2ATDP1
SCHEMBL8695533 0.85 MAPK1 (0.39) MEN1KMT2AKDRMAPK1GPR139
SCHEMBL9141218 0.82 LMNA (0.51) KCNH2SCN10A
SCHEMBL8692908 0.80 FFAR1 (0.46) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10608969 0.80 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10610451 0.78 FFAR1 (0.44) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL8697724 0.78 MAPK1 (0.39) MEN1KMT2AKDRMAPK1GPR139
SCHEMBL9739996 0.77 FFAR1 (0.48) FFAR1MEN1TTRPPOXKMT2A
SCHEMBL10619755 0.77 FFAR1 (0.45) FFAR1MEN1TTRPPOXKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5324711-A Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1994-06-28 — — US claimed
EP-0367242-A2 Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1990-05-09 — — EP claimed
US-5763615-A Methods for the preparation of benzyloxy benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 — — US disclosed
US-5686617-A RING CLOSURE, HYDROGENATION, ETHERIFICATION AMERICAN CYANAMID COMPANY (US) 1997-11-11 — — US disclosed
US-5428003-A Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1995-06-27 — — US disclosed
US-5324711-A Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1994-06-28 — — US disclosed
EP-0367242-A2 Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1990-05-09 — — EP disclosed
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