SCHEMBL16656728

SCHEMBL16656728

CCCCC[C@@H]1C[C@@H]1CI

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
ALDH1A1 P00352 1/20 0.38
EPHX1 P07099 1/20 0.35
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
TRPV1 Q8NER1 2/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL16656311 1.00 ALOX5 (0.52) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL16656301 1.00 ALOX5 (0.52) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL16656731 0.94 ALOX5 (0.47) ALOX5ALDH1A1EPHX1
SCHEMBL16656317 0.94 ALOX5 (0.47) ALOX5ALDH1A1EPHX1
SCHEMBL16656305 0.94 ALOX5 (0.47) ALOX5ALDH1A1EPHX1
SCHEMBL11073073 0.93
SCHEMBL726033 0.87 ALOX5 (0.61) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL18685663 0.85 ALOX5 (0.65) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL18657390 0.85 ALOX5 (0.65) ALOX5ALDH1A1EPHX1TSHRTHRB
SCHEMBL29971764 0.85 ALOX5 (0.65) ALOX5ALDH1A1EPHX1TSHRTHRB

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-9012500-B2 PKC-ε activator NISHIZAKI BIOINFORMATION RESEARCH INSTITUTE (JP) 2015-04-21 US disclosed