SCHEMBL27722372

SCHEMBL27722372

CC(C)(C)C(=O)OCC(=O)c1ccc(CN)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
HDAC3 O15379 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
ELANE P08246 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL3185192 0.81 RAB9A (0.58) RAB9ANPC1MAPTALDH1A1HPGD
Pibecarb SCHEMBL2109461 0.80 NPC1 (0.56) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL506919 0.74 HDAC3 (0.53) LOXL2HDAC3HDAC6NCOR2RAB9A
SCHEMBL11658423 0.73 LOXL2 (0.55) LOXL2HDAC3HDAC6NCOR2KMT2A
Hydrochloric Acid SCHEMBL11656241 0.72 LOXL2 (0.53) LOXL2HDAC3HDAC6NCOR2MAPT
SCHEMBL2643703 0.71 LOXL2 (0.57) LOXL2HDAC3HDAC6NCOR2RAB9A
SCHEMBL28043143 0.70 HDAC3 (0.63) LOXL2HDAC3HDAC6NCOR2RAB9A
SCHEMBL28074933 0.70 LOXL2 (0.47) LOXL2HDAC3HDAC6NCOR2RAB9A
SCHEMBL422913 0.69 LOXL2 (0.65) LOXL2HDAC3HDAC6NCOR2MAPT
SCHEMBL16263584 0.69 HDAC3 (0.55) LOXL2HDAC3HDAC6NCOR2

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
CN-101316841-A Arylmethylene urea derivative and use thereof TORAY INDUSTRIES (JP) 2008-12-03 CN disclosed