SCHEMBL11260271

SCHEMBL11260271

Clc1ccccc1CC1(CCn2ccnc2)SCCS1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 1/20 0.43
CYP19A1 P11511 4/20 0.42
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP11B1 P15538 3/20 0.38
CYP11B2 P19099 3/20 0.38
TBXAS1 P24557 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
QPCT Q16769 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
QPCTL Q9NXS2 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
SCHEMBL11252643 0.93 TSHR (0.47) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11259774 0.89 ALDH1A1 (0.44) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11258579 0.86 CYP2C9 (0.44) ALDH1A1MAPK1CYP19A1LMNATBXAS1
SCHEMBL11253421 0.84 ALDH1A1 (0.37) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11273412 0.83 CYP19A1 (0.42) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11259165 0.82 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2TBXAS1CYP1A2
SCHEMBL11253398 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11267629 0.81 CYP2C9 (0.43) ALDH1A1MAPK1CYP19A1LMNATBXAS1
SCHEMBL11259591 0.81 CYP19A1 (0.42) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11264249 0.80 CYP2A6 (0.52) ALDH1A1TSHRCYP19A1CYP11B1CYP11B2

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