SCHEMBL11301916

SCHEMBL11301916

C=CCNc1ccc(C(=O)C(C(C)=O)C(=O)OCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.40
NTRK1 P04629 1/20 0.40
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
CYP2C19 P33261 1/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CASP3 P42574 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL11067487 0.85 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL11410033 0.79 TSHR (0.57) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL11555935 0.79 LMNA (0.45) RAB9ATSHRMAPK1
SCHEMBL11071275 0.78 ALDH1A1 (0.43) MAPTCYP2C19TSHRMAPK1MEN1
SCHEMBL3144570 0.76 TDP1 (0.49) RAB9ANPC1MAPTCA12CA1
SCHEMBL11497010 0.76 RAB9A (0.44) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL11257181 0.75 LMNA (0.37) AURKANTRK1RAB9APOLBMAPK1
SCHEMBL8249383 0.75 MAPT (0.43) RAB9ANPC1MAPTCA12CA1
SCHEMBL3826655 0.75 MAPT (0.47) SMN1; SMN2MAPTCYP2C19CA12CA1
SCHEMBL2036336 0.74 NPC1 (0.54) RAB9ASMN1; SMN2NPC1MAPTPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281019-A 4-[(Unsaturated or cyclopropylated alkyl)amino]phenyl compounds useful as hypolipidemic and antiatherosclerotic agents AMERICAN CYANAMID COMPANY (US) 1981-07-28 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed