SCHEMBL6865203

SCHEMBL6865203

CCCCCCCC1C(c2ccccc2)CCC(CCCCCCCCCN=C=O)C1CCCCCCCCCN=C=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 7/20 0.37
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GRM2 Q14416 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
SCHEMBL191084 0.84 NAAA (0.39)
SCHEMBL14503155 0.84 NAAA (0.39)
SCHEMBL502986 0.84 NAAA (0.39)
SCHEMBL29206937 0.84 NAAA (0.39)
SCHEMBL31231268 0.80 NAAA (0.36)
SCHEMBL2519349 0.72 NAAA (0.47)
SCHEMBL23610185 0.71 ALOX5 (0.50)
SCHEMBL13253550 0.69 NAAA (0.40)
Phenol SCHEMBL8465237 0.69 ALDH1A1 (0.41) LMNACHRM2CHRM5CHRM1CHRM3
SCHEMBL10883546 0.69 ALOX5 (0.39)

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-6797771-B2 Aqueous composition that can be hardened physically, thermally or thermally and with actinic radiation and the derivatives and production thereof BASF COATINGS AG (DE) 2004-09-28 US disclosed