SCHEMBL7701085

SCHEMBL7701085

CC(C)(C)c1ccc(C(=S)NCC(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
NR1H4 Q96RI1 8/20 0.50
EPHX2 P34913 8/20 0.50
RAB9A P51151 6/20 0.50
HDAC1 Q13547 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 3/20 0.48
SRD5A2 P31213 1/20 0.47
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4692558 0.84 RAB9A (0.63) LMNANR1H4EPHX2RAB9AHDAC1
SCHEMBL7701997 0.78 POLB (0.57) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10606216 0.73 EPHX2 (0.65) LMNAALDH1A1NR1H4EPHX2RAB9A
SCHEMBL130789 0.72 SMN1; SMN2 (0.53) NR1H4EPHX2RAB9AHDAC1SMN1; SMN2
SCHEMBL15942950 0.71 RAB9A (0.65) LMNAALDH1A1NR1H4EPHX2RAB9A
SCHEMBL10625366 0.71 NR1H4 (0.59) LMNANR1H4EPHX2RAB9AMEN1
SCHEMBL4984479 0.71 HDAC1 (0.48) LMNAALDH1A1NR1H4EPHX2RAB9A
SCHEMBL26042662 0.70 EPHX2 (0.61) LMNANR1H4EPHX2RAB9AHDAC1
SCHEMBL10871615 0.70 HDAC1 (0.52) LMNAALDH1A1RAB9AHDAC1SMN1; SMN2
SCHEMBL450084 0.70 RAB9A (0.85) LMNAALDH1A1NR1H4EPHX2RAB9A

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed