SCHEMBL8501575

SCHEMBL8501575

CC1(C(=O)CCC(=O)O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.37
CYP1A2 P05177 2/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KEAP1 Q14145 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP2C9 P11712 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR4A2 P43354 1/20 0.33
PTGES O14684 1/20 0.33
MME P08473 5/20 0.33

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
SCHEMBL4371622 0.82 RARA (0.33) LMNASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28768953 0.82 RARA (0.33) LMNASMN1; SMN2MAPT
SCHEMBL11761426 0.82 FFAR1 (0.38) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL8501780 0.81 FFAR1 (0.36) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL8502416 0.81 FFAR1 (0.37) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL8501909 0.80 FFAR1 (0.35) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL8499526 0.78 MEN1 (0.36) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL5320073 0.78 LMNA (0.36) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL19746580 0.78 MEN1 (0.42) CYP1A2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28757628 0.78 TSHR (0.41) SMN1; SMN2MEN1KMT2AALDH1A1HTT

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-0927156-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1999-07-07 EP disclosed
WO-1998009940-A1 BIPHENYL BUTYRIC ACIDS AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 1998-03-12 WO disclosed