SCHEMBL11265246

SCHEMBL11265246

CCOc1ccc(CC2(CCn3ccnc3)SCC(C)S2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 1/20 0.49
TBXAS1 P24557 5/20 0.44
LTA4H P09960 1/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
QPCT Q16769 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.40
HMOX1 P09601 1/20 0.39

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
SCHEMBL11260381 0.90 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11266883 0.90 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11261656 0.90 MEN1 (0.46) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11260418 0.88 QPCT (0.39) ALDH1A1KDM4ETBXAS1QPCTHMOX1
SCHEMBL11252522 0.86 CYP19A1 (0.38) HMOX1
SCHEMBL11267712 0.86 CYP19A1 (0.46) ALDH1A1KMT2AQPCTHMOX1
SCHEMBL11263808 0.86 ALDH1A1 (0.56) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11264326 0.85 HMOX1 (0.46) ALDH1A1KDM4EMAPK1HMOX1
SCHEMBL11255906 0.85 CYP2A6 (0.46) KDM4EHMOX1
SCHEMBL11260873 0.85 CYP19A1 (0.43) TBXAS1LTA4HKMT2AQPCTHMOX1

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed