SCHEMBL9272097

SCHEMBL9272097

CC(=O)Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.64
TTR P02766 3/20 0.51
MRGPRX4 Q96LA9 2/20 0.49
CHRM1 P11229 1/20 0.48
NR3C1 P04150 1/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9261338 0.91 FFAR1 (0.57) FFAR1TTR
SCHEMBL9036833 0.87 FFAR1 (0.74) FFAR1TTRMRGPRX4CHRM1NR3C1
SCHEMBL2367221 0.82 POLB (0.56) POLB
SCHEMBL1283828 0.80 FFAR1 (0.57) FFAR1TTRMRGPRX4TDP1
SCHEMBL27603203 0.80 FFAR1 (0.57) FFAR1TTRMRGPRX4CHRM1TDP1
SCHEMBL4414860 0.80 FFAR1 (0.60) FFAR1TTRTDP1
SCHEMBL9270286 0.78 CARM1 (0.53) POLB
SCHEMBL12667945 0.78 FFAR1 (1.00) FFAR1TTRMRGPRX4CHRM1TDP1
SCHEMBL9267107 0.78 LPAR1 (0.48) FFAR1POLB
SCHEMBL5324430 0.77 FFAR1 (0.61) FFAR1TTRMRGPRX4NR3C1

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
US-5403934-A Heterocyclic compounds BURROUGHS WELLCOME CO. (US) 1995-04-04 US disclosed
WO-1991013873-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-19 WO disclosed
EP-0447164-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1991-09-18 EP disclosed