SCHEMBL9754030

SCHEMBL9754030

CC(C)Cc1ccc(CCCc2nc(O)c(-c3ccccc3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.44
PTGS2 P35354 1/20 0.42
SIGMAR1 Q99720 3/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL9754002 0.92 ALOX5 (0.47) ALOX5PTGS2MEN1KMT2A
SCHEMBL9754150 0.86 ALOX5 (0.48) ALOX5PTGS2KMT2A
SCHEMBL9754099 0.82 MAPT (0.45) MEN1KMT2A
SCHEMBL9630571 0.77 ALOX5 (0.53) ALOX5
SCHEMBL9754000 0.76 ALOX5 (0.46) ALOX5PTGS2
SCHEMBL9754025 0.74 ALOX5 (0.43) ALOX5PTGS2
SCHEMBL9803529 0.73 ALOX5 (0.43) ALOX5PTGS2
SCHEMBL6547318 0.69 SIGMAR1 (0.54) SIGMAR1MEN1KMT2A
SCHEMBL9754402 0.68 ALOX5 (0.56) ALOX5PTGS2MEN1KMT2A
Isobutylbenzene SCHEMBL363626 0.67 TAAR1 (0.61) ALOX5PTGS2SIGMAR1

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