SCHEMBL4930941

SCHEMBL4930941

C=CC(=O)OCCNC(=O)Nc1ccc(-c2cccc3c(O)cccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CASR P41180 1/20 0.37
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HTR3A P46098 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.35
NAMPT P43490 2/20 0.35
THRB P10828 1/20 0.35
ROCK2 O75116 2/20 0.35
ROCK1 Q13464 1/20 0.35
CNR1 P21554 1/20 0.35

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
SCHEMBL4930932 0.85 EPHX1 (0.41) LMNACA12CA1CA2CA9
SCHEMBL3252175 0.84 TRPV1 (0.44) LMNAGAACA12CA1CA2
SCHEMBL4935397 0.83 GAA (0.38) CASRGAANPSR1CA12CA1
SCHEMBL1735862 0.81 RAB9A (0.47) RAB9ANPC1LMNAHPGDMAPK1
SCHEMBL3252507 0.79 NPSR1 (0.53) RAB9ANPC1LMNAHPGDMAPK1
SCHEMBL13899143 0.77 NPSR1 (0.51) LMNAGAANPSR1SMN1; SMN2THRB
SCHEMBL10093589 0.77 CNR1 (0.48) RAB9ANPC1LMNAHPGDMAPK1
SCHEMBL3253043 0.77 GAA (0.54) RAB9ANPC1LMNAHPGDMAPK1
SCHEMBL3251137 0.76 ALDH1A1 (0.45) LMNAGAAEPHX2MEN1KMT2A
SCHEMBL3252147 0.76 MARS1 (0.48) RAB9ANPC1LMNAHPGDMAPK1

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-20080182202-A1 Planographic printing plate material and resin used therein KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-31 US disclosed