SCHEMBL11766985

SCHEMBL11766985

CCOC(=O)C(O)CCCCN

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.59
CYP1A2 P05177 1/20 0.48
GSR P00390 1/20 0.41
GPR84 Q9NQS5 3/20 0.39
RNPEP Q9H4A4 1/20 0.39
FFAR1 O14842 1/20 0.39
ALOX15 P16050 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.34
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL11763391 0.98 CPB2 (0.57) CPB2CYP1A2GSRGPR84RNPEP
SCHEMBL17069883 0.85 CPB2 (0.46) CPB2CYP1A2ALOX15ALDH1A1LMNA
SCHEMBL3019389 0.83 GPR84 (0.57) GPR84FFAR1
Hydrochloric Acid SCHEMBL17061503 0.83 CPB2 (0.44) CPB2CYP1A2ALOX15ALDH1A1LMNA
SCHEMBL9773213 0.82 GPR84 (0.61) GPR84FFAR1
SCHEMBL509990 0.82 GPR84 (0.61) GPR84FFAR1
SCHEMBL7515147 0.82 GPR84 (0.61) GPR84FFAR1
SCHEMBL1683717 0.82 GPR84 (0.61) GPR84FFAR1
SCHEMBL7519047 0.82 GPR84 (0.61) GPR84FFAR1
SCHEMBL2877290 0.82 GPR84 (0.61) GPR84FFAR1

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-4064236-A Peptide carbazates and pharmaceutical composition MERCK & CO., INC. (US) 1977-12-20 US disclosed