SCHEMBL7909726

SCHEMBL7909726

CC1(C)CC(CN)c2cc(-c3cccs3)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
LTA4H P09960 1/20 0.38
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HDAC1 Q13547 14/20 0.35
HDAC2 Q92769 14/20 0.35
HDAC3 O15379 11/20 0.35
PGR P06401 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34

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
SCHEMBL7909723 0.79 HDAC1 (0.41) KCNH2HDAC1HDAC2HDAC3
SCHEMBL10650405 0.75 HTR2C (0.43)
SCHEMBL6601927 0.75 KCNE1 (0.39) HDAC1HDAC2HDAC3
SCHEMBL7909660 0.74 TRPV1 (0.30)
SCHEMBL7910194 0.66 NCF1 (0.38)
SCHEMBL27710422 0.65 ALDH1A1 (0.55) KCNH2PGR
SCHEMBL10652491 0.64 MAPT (0.42) KCNH2PTGS1PGR
Hydrochloric Acid SCHEMBL6561181 0.63 HTR2B (0.46)
SCHEMBL27675555 0.63 KCNH2 (0.44) KCNH2LPLLIPGALOX5PTGS1
SCHEMBL3249226 0.61 RPS6KB2 (0.57) KCNH2PTGS2

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-6177449-B1 CARDIOVASCULAR DISORDERS; ANTIULCER AGENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-01-23 US disclosed