SCHEMBL9835693

SCHEMBL9835693

CC(C(=S)c1ccccc1)[C@H]1NC(=O)[C@@H]1[C@@H](C)O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.31
CASP1 P29466 2/20 0.31
TSHR P16473 1/20 0.31
BRCA1 P38398 1/20 0.31
CASP7 P55210 1/20 0.31
HBB P68871 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MMP3 P08254 1/20 0.30

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
SCHEMBL9835699 1.00 ALDH1A1 (0.32) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL8640254 0.86 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL8642950 0.82
SCHEMBL9836002 0.82
SCHEMBL8646488 0.79 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL9837363 0.78 ELANE (0.32)
SCHEMBL8835052 0.77 LMNA (0.41) ALDH1A1KDM4EMEN1NPC1TP53
SCHEMBL3898523 0.74 ENO1 (0.30)
SCHEMBL17865775 0.74 ACHE (0.44) ALDH1A1MEN1HPGDKMT2A
SCHEMBL17865746 0.74 ACHE (0.44) ALDH1A1MEN1HPGDKMT2A

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
EP-0202048-B1 CARBAPENEM DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1991-10-30 EP disclosed
US-4771046-A ANTIBIOTICS SANKYO COMPANY, LIMITED (JP) 1988-09-13 US disclosed
EP-0202048-A1 Carbapenem derivatives, their preparation, and pharmaceutical compositions containing them SANKYO COMPANY LIMITED (JP) 1986-11-20 EP disclosed