SCHEMBL9803550

SCHEMBL9803550

CCC(c1ccc(CC(C)C)cc1)c1nc(C(=O)CN)c(-c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
PTGS1 P23219 4/20 0.38
PTGS2 P35354 4/20 0.38
ALOX5 P09917 3/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
AKR1C3 P42330 2/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
ALB P02768 1/20 0.38
ESR1 P03372 1/20 0.38
RARB P10826 1/20 0.38
ADRB3 P13945 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
NR1I3 Q14994 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
CXCL8 P10145 1/20 0.38
TSHR P16473 1/20 0.38
AKR1C2 P52895 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
SCHEMBL9803910 0.88 PTGS1 (0.40) PTGDR2PTGS1PTGS2ALOX5LMNA
SCHEMBL9754025 0.81 ALOX5 (0.43) PTGDR2PTGS1PTGS2ALOX5LMNA
SCHEMBL9803529 0.80 ALOX5 (0.43) PTGDR2PTGS1PTGS2ALOX5LMNA
SCHEMBL9754145 0.75 PTGDR2 (0.33) PTGDR2PTGS1PTGS2ALOX5LMNA
SCHEMBL9754195 0.73 ALOX5 (0.46) PTGDR2PTGS1PTGS2ALOX5LMNA
SCHEMBL9754095 0.71 LMNA (0.43) PTGDR2PTGS1PTGS2ALOX5LMNA
SCHEMBL9754292 0.70 ALOX5 (0.49) PTGDR2PTGS2ALOX5ALOX5AP
SCHEMBL9754000 0.69 ALOX5 (0.46) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL9754341 0.69 FBP1 (0.35) PTGS1PTGS2ALOX5LMNACYP2C9
SCHEMBL9803881 0.68 ALOX5 (0.33) PTGDR2PTGS1PTGS2ALOX5LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5032588-A Non-steroidal antiinflammatory ABBOTT LABORATORIES (US) 1991-07-16 US disclosed