SCHEMBL9754145

SCHEMBL9754145

CCC(c1ccc(CC(C)C)cc1)c1nc(O[Si](C)(C)C)c(-c2ccccc2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
S1PR1 P21453 2/20 0.33
ALOX5 P09917 2/20 0.33
ALOX5AP P20292 1/20 0.33
FBP1 P09467 1/20 0.32
S1PR3 Q99500 1/20 0.32
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32
RARB P10826 1/20 0.32
ADRB3 P13945 1/20 0.32
NFKB1 P19838 1/20 0.32
HTR2A P28223 1/20 0.32
NR1I3 Q14994 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
SCHEMBL9754025 0.81 ALOX5 (0.43) PTGDR2ALOX5PTGS1PTGS2LMNA
SCHEMBL9803529 0.81 ALOX5 (0.43) PTGDR2ALOX5PTGS1PTGS2LMNA
SCHEMBL9803910 0.78 PTGS1 (0.40) PTGDR2ALOX5ALOX5APPTGS1PTGS2
SCHEMBL9803550 0.75 PTGDR2 (0.38) PTGDR2ALOX5ALOX5APPTGS1PTGS2
SCHEMBL9754195 0.73 ALOX5 (0.46) PTGDR2ALOX5ALOX5APPTGS1PTGS2
SCHEMBL9754292 0.72 ALOX5 (0.49) PTGDR2ALOX5ALOX5APPTGS2
SCHEMBL9754095 0.70 LMNA (0.43) PTGDR2S1PR1ALOX5PTGS1PTGS2
SCHEMBL9754000 0.69 ALOX5 (0.46) S1PR1ALOX5ALOX5APS1PR3PTGS1
SCHEMBL9754341 0.69 FBP1 (0.35) ALOX5FBP1PTGS1PTGS2LMNA
SCHEMBL9803881 0.68 ALOX5 (0.33) PTGDR2ALOX5ALOX5APPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991008744-A1 THIAZOLE LIPOXYGENASE-INHIBITING COMPOUNDS DERIVED FROM NON-STEROIDAL ANTIINFLAMMATORY CARBOXYLIC ACIDS ABBOTT LABORATORIES (US) 1991-06-27 WO claimed
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