SCHEMBL10694689

SCHEMBL10694689

N#CC(c1cccc(F)c1)C(CC(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
FFAR1 O14842 1/20 0.41
CTSA P10619 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ALPG P10696 1/20 0.40
KMT2A Q03164 2/20 0.39
EEF2K O00418 1/20 0.39
MEN1 O00255 1/20 0.39
GPR139 Q6DWJ6 1/20 0.38

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
SCHEMBL10452001 0.95 LMNA (0.47) CNR2LMNAHPGDSMN1; SMN2USP2
SCHEMBL11157668 0.94 CNR2 (0.43) CNR2LMNAHPGDSMN1; SMN2USP2
SCHEMBL15862682 0.91 CYP2C9 (0.46) CNR2LMNAHPGDSMN1; SMN2USP2
SCHEMBL10452077 0.89 LMNA (0.44) CNR2LMNAHPGDSMN1; SMN2USP2
SCHEMBL14635509 0.89 PGR (0.41) CNR2LMNAHPGDSMN1; SMN2USP2
SCHEMBL10450998 0.88 ALDH1A1 (0.50) LMNAHPGDALDH1A1HTTNPSR1
SCHEMBL2329370 0.87 HDAC4 (0.38) CNR2LMNAHPGDSMN1; SMN2USP2
SCHEMBL10695685 0.86 KCNA5 (0.45) CNR2LMNAHPGDSMN1; SMN2USP2
SCHEMBL11160153 0.86 LMNA (0.55) CNR2LMNAHPGDSMN1; SMN2USP2
SCHEMBL11159272 0.86 LMNA (0.55) CNR2LMNAHPGDSMN1; SMN2USP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275130-A2 Printing ink composition STAMICARBON B.V. (NL) 1988-07-20 EP claimed
EP-0270830-A1 Method for regulating plant growth using polysubstituted butyric acids, esters and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1988-06-15 EP claimed
EP-0275130-A2 Printing ink composition STAMICARBON B.V. (NL) 1988-07-20 EP disclosed
EP-0270830-A1 Method for regulating plant growth using polysubstituted butyric acids, esters and derivatives thereof AMERICAN CYANAMID COMPANY (US) 1988-06-15 EP disclosed
US-4698405-A PARAMETHYLSTYRENE AS COPOLYMER IMPROVES PHYSICAL PROPERTIES DSM RESINES FRANCE S.A. (FR) 1987-10-06 US disclosed