SCHEMBL20090519

SCHEMBL20090519

NCCCC1CC[C@@H](C2CCCC2)C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
ALOX5 P09917 1/20 0.42
CPB2 Q96IY4 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.31

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
SCHEMBL19153939 0.87 SIGMAR1 (0.61) SIGMAR1ALOX5CPB2ALDH1A1CYP1A2
SCHEMBL24727705 0.87 SIGMAR1 (0.40) SIGMAR1ALOX5
SCHEMBL21278453 0.86 SIGMAR1 (0.61) SIGMAR1ALOX5CPB2CYP1A2
SCHEMBL10603449 0.81 CYP1A2 (0.46) SIGMAR1ALOX5ALDH1A1CYP1A2
SCHEMBL29024557 0.79 CYP1A2 (0.56) ALOX5ALDH1A1CYP1A2
SCHEMBL3542357 0.78 ALOX5 (0.43) ALOX5ALDH1A1
SCHEMBL22461914 0.78 SIGMAR1 (0.67) SIGMAR1CYP1A2
SCHEMBL19798199 0.78 SIGMAR1 (0.54) SIGMAR1
SCHEMBL11072176 0.78 CYP1A2 (0.48) SIGMAR1ALOX5ALDH1A1CYP1A2
SCHEMBL28906792 0.76 ALOX5 (0.37) SIGMAR1ALOX5ALDH1A1

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-20180113062-A1 SOOT SENSOR SYSTEM STANDARD MOTOR PRODUCTS, INC. 2018-04-26 US disclosed