SCHEMBL4037637

SCHEMBL4037637

Cc1ccc(-c2ccc(CCCCC(=O)O)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.46
FFAR1 O14842 2/20 0.46
HDAC2 Q92769 3/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC3 O15379 1/20 0.45
MAPK1 P28482 1/20 0.45
ADRA1A P35348 1/20 0.45
HDAC4 P56524 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL7209273 0.83 SMN1; SMN2 (0.60) TBXAS1MAPTRXFP1SMN1; SMN2TSHR
SCHEMBL30227184 0.83 SMN1; SMN2 (0.60) TBXAS1MAPTRXFP1SMN1; SMN2TSHR
SCHEMBL4036683 0.82 FFAR4 (0.61) TBXAS1MAPTRXFP1HSD17B10FFAR1
SCHEMBL4039536 0.81 MAPT (0.59) MAPTRXFP1SMN1; SMN2HSD17B10FFAR1
SCHEMBL4039020 0.80 FFAR4 (0.48) TBXAS1MAPTRXFP1HSD17B10FFAR1
SCHEMBL17053310 0.80 MAPT (0.54) TBXAS1MAPTSMN1; SMN2TSHRHSD17B10
SCHEMBL5151271 0.80 TSHR (0.56) SMN1; SMN2TSHRFFAR1RXRARXRB
SCHEMBL7800833 0.79 RARB (0.54) TBXAS1MAPTRXFP1SMN1; SMN2HSD17B10
SCHEMBL7798372 0.79 RARB (0.61) MAPTSMN1; SMN2HSD17B10RARB
SCHEMBL7796716 0.78 RARB (0.64) MAPTRXFP1SMN1; SMN2HSD17B10RARB

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-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP claimed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 WO claimed