SCHEMBL8501780

SCHEMBL8501780

CC(C)(C)C1(C(=O)CCC(=O)O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.36
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
MME P08473 5/20 0.34
RXRA P19793 2/20 0.33
RXRB P28702 2/20 0.33
RXRG P48443 2/20 0.33
KEAP1 Q14145 1/20 0.33
CYP2C9 P11712 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL8525878 0.87 RXRA (0.33) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL8501575 0.81 FFAR1 (0.37) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL11761426 0.80 FFAR1 (0.38) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL8502416 0.78 FFAR1 (0.37) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL8501909 0.78 FFAR1 (0.35) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL5014699 0.77 MAPT (0.31) SMN1; SMN2MAPT
SCHEMBL8526230 0.77 FFAR1 (0.32) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL8499526 0.76 MEN1 (0.36) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL28751411 0.75 FFAR1 (0.33) FFAR1CYP1A2LMNARAB9ASMN1; SMN2
SCHEMBL6709307 0.73 RAB9A (0.32) CYP1A2RAB9ASMN1; SMN2CYP2C9MAPT

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