SCHEMBL11253152

SCHEMBL11253152

CCC1CCSC(CCCn2ccnc2)(Cc2ccc(C(C)C)cc2)S1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
QPCT Q16769 4/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GFER P55789 1/20 0.37
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
PRKCI P41743 1/20 0.34
CYP19A1 P11511 2/20 0.33
HMOX1 P09601 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL11270017 0.91 QPCT (0.42) LMNAQPCTKDM4EPRKCICYP19A1
SCHEMBL11256462 0.89 LMNA (0.38) LMNAQPCTRAB9ANPC1GFER
SCHEMBL11254266 0.85 LMNA (0.40) LMNAQPCTRAB9ANPC1GFER
SCHEMBL11262886 0.84 CYP19A1 (0.41) LMNAQPCTPOLBPRKCICYP19A1
SCHEMBL10785619 0.83 TBXAS1 (0.43) LMNAQPCTKDM4EPRKCI
SCHEMBL11266390 0.83 HMOX1 (0.42) CYP19A1HMOX1
SCHEMBL11270666 0.83 CYP2A6 (0.38) QPCTCYP19A1HMOX1
SCHEMBL11262771 0.82 CYP1A2 (0.39) QPCTPOLBCYP19A1HMOX1
SCHEMBL10780799 0.82 TBXAS1 (0.40) QPCTPRKCI
SCHEMBL11264763 0.81 TSHR (0.39) LMNAKDM4EPRKCICYP19A1

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