SCHEMBL9754341

SCHEMBL9754341

CCC(c1ccc(CC(C)C)cc1)c1nc(O)c(-c2cccs2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.35
PTGS1 P23219 4/20 0.35
PTGS2 P35354 4/20 0.35
LMNA P02545 4/20 0.35
CYP2C9 P11712 2/20 0.35
AKR1C3 P42330 2/20 0.35
CXCR1 P25024 2/20 0.35
CXCR2 P25025 2/20 0.35
ALB P02768 1/20 0.35
ESR1 P03372 1/20 0.35
ALOX5 P09917 1/20 0.35
RARB P10826 1/20 0.35
ADRB3 P13945 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR2A P28223 1/20 0.35
NR1I3 Q14994 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
CXCL8 P10145 1/20 0.35
TSHR P16473 1/20 0.35
AKR1C2 P52895 1/20 0.35

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 0.84 ALOX5 (0.43) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9803529 0.83 ALOX5 (0.43) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9803532 0.82 LMNA (0.35) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9754195 0.80 ALOX5 (0.46) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9754292 0.77 ALOX5 (0.49) PTGS2ALOX5FFAR1
SCHEMBL9803881 0.77 ALOX5 (0.33) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9803536 0.76 PTGS1 (0.33) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9803773 0.75 PTGS1 (0.38) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9754176 0.74 PTGS2 (0.35) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9754095 0.74 LMNA (0.43) PTGS1PTGS2LMNACYP2C9AKR1C3

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