SCHEMBL9754095

SCHEMBL9754095

CCC(c1ccc(CC(C)C)cc1)c1nc(O)c(-c2ccc(C(=O)OC)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCR1 P25024 3/20 0.37
CXCR2 P25025 3/20 0.37
S1PR1 P21453 1/20 0.37
PTGS1 P23219 4/20 0.36
PTGS2 P35354 3/20 0.36
CYP2C9 P11712 3/20 0.36
AKR1C3 P42330 2/20 0.36
ADRB3 P13945 2/20 0.36
ALB P02768 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX5 P09917 1/20 0.36
RARB P10826 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL9754292 0.85 ALOX5 (0.49) PTGS2ALOX5CYP1A2CYP2C19PTGDR2
SCHEMBL9754195 0.84 ALOX5 (0.46) LMNACXCR1CXCR2PTGS1PTGS2
SCHEMBL9754025 0.84 ALOX5 (0.43) LMNACXCR1CXCR2PTGS1PTGS2
SCHEMBL9803529 0.83 ALOX5 (0.43) LMNACXCR1CXCR2PTGS1PTGS2
SCHEMBL9754099 0.78 MAPT (0.45) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL9803910 0.74 PTGS1 (0.40) LMNACXCR1CXCR2PTGS1PTGS2
SCHEMBL9803532 0.74 LMNA (0.35) LMNAMAPTALDH1A1CXCR1CXCR2
SCHEMBL9754341 0.74 FBP1 (0.35) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL25146751 0.73 LOXL2 (0.56) MAPTCXCR1CXCR2
SCHEMBL9754000 0.72 ALOX5 (0.46) LMNACXCR1CXCR2S1PR1PTGS1

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-5032588-A Non-steroidal antiinflammatory ABBOTT LABORATORIES (US) 1991-07-16 US disclosed
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO disclosed