SCHEMBL9869868

SCHEMBL9869868

CC(CC(=O)O)Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.73
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
CHRM1 P11229 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.45
TTR P02766 1/20 0.44
PNLIP P16233 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL757221 0.86 FFAR1 (0.59) FFAR1SMN1; SMN2HTTTDP1TSHR
SCHEMBL21991916 0.84 PPARG (0.50) FFAR1PPARA
SCHEMBL11540517 0.84 FFAR1 (1.00) FFAR1SMN1; SMN2HTTMRGPRX4TDP1
SCHEMBL8875405 0.83 FFAR1 (0.56) FFAR1SMN1; SMN2HTTMRGPRX4MCL1
SCHEMBL9819006 0.83 KMT2A (0.52) FFAR1PPARA
Diclofop SCHEMBL66474 0.82 FFAR1 (0.62) FFAR1SMN1; SMN2HTTMRGPRX4TDP1
Diclofop SCHEMBL4895804 0.82 FFAR1 (0.62) FFAR1SMN1; SMN2HTTMRGPRX4TDP1
Diclofop SCHEMBL30583165 0.82 FFAR1 (0.62) FFAR1SMN1; SMN2HTTMRGPRX4TDP1
Diclofop SCHEMBL1011415 0.82 FFAR1 (0.62) FFAR1SMN1; SMN2HTTMRGPRX4TDP1
SCHEMBL11464870 0.82 FFAR1 (0.54) FFAR1SMN1; SMN2MRGPRX4TTR

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
US-4988818-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed
US-4963690-A HERBICIDE SYNERGISTS BASF AKTIENGESELLSCHAFT (DE) 1990-10-16 US disclosed