SCHEMBL10679282

SCHEMBL10679282

CCOC(=O)C(C)(C)c1ccc(NC(C)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.62
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
PPID Q08752 1/20 0.50
MAPT P10636 4/20 0.49
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
AGTR1 P30556 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL3484906 0.83 RORC (0.53) RORCLMNAMEN1KMT2ACYP1A2
SCHEMBL11836081 0.82 SMN1; SMN2 (0.53) RORCLMNATDP1MEN1KMT2A
SCHEMBL25567671 0.81 RORC (0.53) RORCLMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL8139012 0.81 RORC (0.52) RORCLMNAMEN1KMT2ACYP1A2
SCHEMBL1767942 0.80 RORC (0.52) RORCLMNAMEN1KMT2ACYP1A2
SCHEMBL12273496 0.80 RORC (0.52) RORCLMNAMEN1KMT2ACYP1A2
SCHEMBL6279399 0.80 CNR2 (0.58) RORCCYP1A2MAPTSMN1; SMN2HTT
SCHEMBL7377460 0.79 MMP8 (0.56) RORCLMNATDP1MEN1KMT2A
SCHEMBL6040918 0.79 CNR2 (0.47) RORCLMNAKMT2ACYP1A2MAPT
SCHEMBL4115523 0.78 CNR2 (0.53) RORCLMNAKMT2AALDH1A1TSHR

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