SCHEMBL17338656

SCHEMBL17338656

CCc1cc(OCc2ccccc2)cc2onc(C(=O)O)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NR4A2 P43354 2/20 0.43
SLC16A3 O15427 1/20 0.43
ABCB1 P08183 1/20 0.43
MAPT P10636 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A3 Q92570 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
SMPD1 P17405 1/20 0.41
MAOB P27338 5/20 0.41
SRD5A2 P31213 1/20 0.40
ACHE P22303 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
ALOX5 P09917 1/20 0.40
ALOX5AP P20292 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL16571317 0.82 ALDH1A1 (0.38) MAPT
SCHEMBL4306909 0.79 MAOB (0.52) MEN1KMT2ANR4A2SLC16A3NR4A1
SCHEMBL8937667 0.76 MEN1 (0.61) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL17338654 0.74 CASP3 (0.54) MAOBACHECASP3SENP8SENP7
SCHEMBL1324010 0.73 MAOB (0.56) MEN1KMT2AMAPTMAOBACHE
SCHEMBL6830612 0.73 KCNA5 (0.48) KMT2AMAPT
SCHEMBL1842660 0.71 MEN1 (0.55) MEN1KMT2ANR4A2NR4A1NR4A3
SCHEMBL10657327 0.71 MEN1 (0.55) MEN1KMT2ANR4A2SLC16A3NR4A1
SCHEMBL26158656 0.71 MEN1 (0.55) MEN1KMT2ANR4A2SLC16A3NR4A1
SCHEMBL2955611 0.71 LTB4R (0.64) MEN1KMT2ANR4A2SLC16A3NR4A1

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
WO-2015189117-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-17 WO disclosed