SCHEMBL4932795

SCHEMBL4932795

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.42
EPHX1 P07099 5/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 3/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.40
HTR3A P46098 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL4930969 0.84 EPHX1 (0.42) EPHX2EPHX1ALDH1A1LMNAHTT
SCHEMBL3249553 0.82 HDAC1 (0.51)
SCHEMBL26662008 0.82 EPHX1 (0.60) EPHX2EPHX1ALDH1A1LMNAHTT
SCHEMBL1734806 0.82 EPHX2 (0.47) EPHX2EPHX1ALDH1A1LMNAHTT
SCHEMBL1737201 0.81 EPHX2 (0.52) EPHX2EPHX1ALDH1A1LMNAHTT
SCHEMBL5705709 0.80 HTR1A (0.41) EPHX2EPHX1ALDH1A1LMNAHTT
SCHEMBL1737301 0.80 ALDH1A1 (0.44) EPHX2EPHX1ALDH1A1LMNAHTT
SCHEMBL26661999 0.80 ALDH1A1 (0.56) EPHX1ALDH1A1LMNAHTTKMT2A
SCHEMBL1735931 0.78 MARS1 (0.46) EPHX1ALDH1A1LMNAHTTKMT2A
SCHEMBL28176621 0.76 BACE1 (0.50) LMNAHTTPOLBAPEX1TDP1

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