SCHEMBL11262884

SCHEMBL11262884

Cc1ccc(CCC2(Cn3ccnc3)SCCC(C)S2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HMOX1 P09601 2/20 0.34
CYP19A1 P11511 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 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
SCHEMBL11273329 0.90 POLB (0.38) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11261911 0.88 CYP11B1 (0.40) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11253922 0.85 HMOX1 (0.44) CYP11B1CYP11B2HMOX1CYP19A1
SCHEMBL11262095 0.85 POLB (0.39) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11266929 0.84 POLB (0.39) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11269765 0.83 HMOX1 (0.41) CYP11B1HMOX1CYP19A1
SCHEMBL11262650 0.83 POLB (0.36) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11264689 0.80 CYP11B1 (0.47) CYP11B1CYP11B2POLBCTDSP1TDP1
SCHEMBL11273257 0.80 HMOX1 (0.43) CYP11B1CYP11B2POLBHMOX1CYP19A1
SCHEMBL11270710 0.80 CYP11B1 (0.42) CYP11B1CYP11B2POLBCTDSP1TDP1

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