SCHEMBL10683046

SCHEMBL10683046

CC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 5/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 4/20 0.53
NR1H4 Q96RI1 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA12 O43570 1/20 0.53
BRD4 O60885 1/20 0.53
NR1I2 O75469 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
MB P02144 1/20 0.53
CYP1A1 P04798 1/20 0.53
CA3 P07451 1/20 0.53
CYP3A4 P08684 1/20 0.53

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
SCHEMBL28134543 0.83 SMN1; SMN2 (0.59) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL261232 0.83 KIF11 (0.64) L3MBTL1KMT2AMAPTALDH1A1MEN1
SCHEMBL785306 0.82 NR1H4 (0.66) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL11940935 0.82 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL3497043 0.81 MAPT (0.52) KMT2AMAPTALDH1A1TSHRCYP2C19
SCHEMBL27965790 0.80 NAPRT (0.60) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL262075 0.80 KIF11 (0.51) SMN1; SMN2L3MBTL1HSD17B10KMT2AMAPT
SCHEMBL29178161 0.79 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL11844304 0.79 SMN1; SMN2 (0.63) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10
SCHEMBL16349508 0.78 SMN1; SMN2 (0.68) SMN1; SMN2L3MBTL1HTTNAPRTHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4720506-A Immunomodulating agent NIPPON SHINYAKU COMPANY, LIMITED (JP) 1988-01-19 US disclosed
EP-0094599-B1 USE OF AMINOPHENYLACETIC ACID DERIVATIVES FOR THE MANUFACTURE OF AN IMMUNOMODULATING MEDICAL PREPARATION MITSUBISHI KASEI CORPORATION (JP) 1987-04-01 EP disclosed
EP-0094599-A1 Use of aminophenylacetic acid derivatives for the manufacture of an immunomodulating medical preparation MITSUBISHI KASEI CORPORATION (JP) 1983-11-23 EP disclosed