SCHEMBL11202137

SCHEMBL11202137

CCNc1ccc(C(NCC)c2ccccc2)cc1C(NCC)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
GRM7 Q14831 1/20 0.42
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.38
POLB P06746 2/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRB3 P13945 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
SCHEMBL11201239 0.82 MTOR (0.47) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL11201288 0.80 ALDH1A1 (0.56) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL11196530 0.79 ALDH1A1 (0.51) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL11195230 0.78 ALDH1A1 (0.50) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL11204238 0.78 ALDH1A1 (0.50) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL11195228 0.78 ALDH1A1 (0.50) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL11198452 0.78 ALDH1A1 (0.50) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL11194593 0.78 ALDH1A1 (0.50) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL11203293 0.78 ALDH1A1 (0.50) MTORRAB9AGRM7CYP3A4ALOX15
SCHEMBL5077174 0.78 MTOR (0.65) MTORRAB9AGRM7CYP3A4ALOX15

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-4411805-A LUBRICANT OIL ADDITIVES UOP INC. (US) 1983-10-25 US disclosed