SCHEMBL11270698

SCHEMBL11270698

Clc1ccccc1CCC1(Cn2ccnc2)SCCCS1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.41
CYP11B1 P15538 5/20 0.39
CYP17A1 P05093 2/20 0.39
CYP21A2 P08686 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP11B2 P19099 4/20 0.38
TSHR P16473 1/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
TBXAS1 P24557 1/20 0.37
QPCT Q16769 1/20 0.37
CYP4Z1 Q86W10 1/20 0.37
QPCTL Q9NXS2 1/20 0.37

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
SCHEMBL11259591 0.95 CYP19A1 (0.42) CYP19A1CYP11B1CYP17A1CYP21A2ALDH1A1
SCHEMBL11273412 0.88 CYP19A1 (0.42) CYP19A1CYP11B1CYP17A1CYP21A2ALDH1A1
SCHEMBL11261520 0.85 HMOX1 (0.40) CYP19A1CYP11B1CYP17A1CYP21A2ALDH1A1
SCHEMBL11259774 0.85 ALDH1A1 (0.44) CYP19A1CYP11B1ALDH1A1ALOX15MAPK1
SCHEMBL11264774 0.83 CYP1A2 (0.47) CYP19A1CYP11B1CYP11B2CYP1A2POLB
SCHEMBL11254722 0.82 HMOX1 (0.39) CYP19A1CYP11B1CYP17A1CYP21A2ALDH1A1
SCHEMBL11262690 0.81 ADRA2C (0.44) CYP19A1CYP11B1CYP17A1CYP21A2CYP1A2
SCHEMBL11256591 0.81 HMOX1 (0.54) CYP19A1CYP11B1CYP11B2
SCHEMBL11255399 0.81 HMOX1 (0.35) CYP11B1CYP11B2
SCHEMBL11263905 0.80 ADRA2C (0.41) CYP19A1CYP11B1CYP17A1CYP21A2CYP1A2

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