SCHEMBL11264945

SCHEMBL11264945

CCOc1ccc(CC2(Cn3ccnc3)SCC(C)CS2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 1/20 0.46
TBXAS1 P24557 4/20 0.42
LTA4H P09960 1/20 0.40
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
QPCT Q16769 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 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
SCHEMBL11266883 0.90 ALDH1A1 (0.50) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11257105 0.89 ALDH1A1 (0.52) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11269393 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11269778 0.85 HMOX1 (0.42)
SCHEMBL11261214 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11261964 0.84 CYP19A1 (0.48) CYP19A1MAPK1
SCHEMBL11258554 0.84 HMOX1 (0.50) CYP19A1
SCHEMBL11265246 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ELMNATBXAS1LTA4H
SCHEMBL11259944 0.82 KDM4E (0.48) ALDH1A1KDM4ELMNA
SCHEMBL11260695 0.81 KDM4E (0.46) ALDH1A1KDM4ELMNATBXAS1

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