SCHEMBL11048831

SCHEMBL11048831

CCCCc1cc(C)cc(SCCO)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TYR P14679 3/20 0.36
ALOX5 P09917 5/20 0.35
NPC1 O15118 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGS2 P35354 3/20 0.34
MAOA P21397 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 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
SCHEMBL21638088 0.91 HTT (0.38) HTTMAPTSMN1; SMN2ALDH1A1TYR
SCHEMBL4539436 0.82 HTT (0.43) HTTMAPTSMN1; SMN2ALDH1A1TYR
SCHEMBL10885010 0.80 PTGS2 (0.40) HTTMAPTSMN1; SMN2NPC1MAPK1
SCHEMBL280118 0.78 TYR (0.48) HTTMAPTSMN1; SMN2ALDH1A1TYR
SCHEMBL10886790 0.77 GPR84 (0.42) SMN1; SMN2TYRNPSR1PTGS2
SCHEMBL9745932 0.76 ALOX5 (0.46) HTTMAPTTYRALOX5PTGS2
SCHEMBL3821186 0.76 ALOX5 (0.46) HTTMAPTTYRALOX5PTGS2
SCHEMBL9746222 0.76 ALOX5 (0.46) HTTMAPTTYRALOX5PTGS2
SCHEMBL9745591 0.76 ALOX5 (0.46) HTTMAPTTYRALOX5PTGS2
SCHEMBL29112780 0.76 TYR (0.47) HTTMAPTSMN1; SMN2ALDH1A1TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0060799-B1 DIESTER ANTIOXIDANTS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-06-06 EP disclosed
US-4394476-A POLYMERS, BUTADIENE-STYRENE COPOLYMER THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-07-19 US disclosed
EP-0060799-A1 Diester antioxidants THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-09-22 EP disclosed
US-4108831-A FOR CONJUGATED DIENE POLYMERS THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-08-22 US disclosed