SCHEMBL4930969

SCHEMBL4930969

C=CC(=O)OCCCCNC(=O)Nc1ccc(O)c(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.42
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
HTR3A P46098 1/20 0.40
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL4932795 0.84 EPHX2 (0.42) EPHX1EPHX2ALDH1A1LMNAHTR3A
SCHEMBL3253051 0.82 HDAC1 (0.46)
SCHEMBL3251684 0.81 EPHX2 (0.47) EPHX1EPHX2ALDH1A1LMNAKMT2A
SCHEMBL4345526 0.80 MARS1 (0.51) EPHX1EPHX2ALDH1A1LMNAKMT2A
SCHEMBL1735654 0.80 ALDH1A1 (0.46) EPHX1EPHX2ALDH1A1LMNAKMT2A
SCHEMBL3252282 0.78 MARS1 (0.47) ALDH1A1LMNAKMT2ANPC1HPGD
SCHEMBL29315489 0.74 PPARG (0.51) ALDH1A1LMNAKMT2AHTTMAPK1
SCHEMBL3252507 0.74 NPSR1 (0.53) EPHX1EPHX2ALDH1A1LMNAKMT2A
SCHEMBL3251137 0.74 ALDH1A1 (0.45) EPHX1EPHX2ALDH1A1LMNAKMT2A
SCHEMBL3248419 0.74 HDAC1 (0.49)

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