SCHEMBL11259774

SCHEMBL11259774

Clc1ccccc1CCC1(CCn2ccnc2)SCCS1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
CYP19A1 P11511 4/20 0.41
TBXAS1 P24557 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
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
SCHEMBL11259591 0.89 CYP19A1 (0.42) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11260271 0.89 ALDH1A1 (0.45) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11270314 0.87 ALDH1A1 (0.38) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11270698 0.85 CYP19A1 (0.41) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11268126 0.83 HMOX1 (0.48) CYP19A1TBXAS1CYP11B1CYP11B2CYP1A2
SCHEMBL11252643 0.82 TSHR (0.47) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11303184 0.82 ALDH1A1 (0.40) ALDH1A1MAPK1ALOX15HSD17B10TSHR
SCHEMBL11256067 0.82 CYP2C9 (0.42) ALDH1A1MAPK1CYP19A1TBXAS1LMNA
SCHEMBL11270723 0.81 CYP2A6 (0.51) CYP19A1CYP11B1CYP11B2
SCHEMBL11265408 0.80 LMNA (0.38) MAPK1ALOX15TSHRCYP19A1LMNA

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