SCHEMBL11261391

SCHEMBL11261391

Cc1cc(C)c(CC2(CCCn3ccnc3)SCC(C)S2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.41
PRKCI P41743 1/20 0.39
TSHR P16473 1/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 2/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
QPCT Q16769 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL11265755 0.89 CYP11B1 (0.43) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11260909 0.86 CYP11B1 (0.44) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11266636 0.84 MAPK1 (0.40) KMT2AMEN1ALDH1A1LMNAPRKCI
SCHEMBL11271243 0.84 QPCT (0.44) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11265565 0.83 CYP11B1 (0.41) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11260803 0.81 CYP11B1 (0.46) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL11263977 0.81 CYP19A1 (0.41) CYP11B1CYP11B2KMT2AALDH1A1KDM4E
SCHEMBL10785066 0.81 TBXAS1 (0.44) KMT2AKDM4ELMNAPRKCIHSD17B10
SCHEMBL11257083 0.80 POLB (0.43) CYP11B1CYP11B2KMT2AMEN1ALDH1A1
SCHEMBL10780679 0.79 TBXAS1 (0.50) KMT2AALDH1A1KDM4ELMNAPRKCI

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