SCHEMBL9831740

SCHEMBL9831740

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C1CCCCC1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 2/20 0.47
HPGD P15428 2/20 0.43
CYP2C19 P33261 1/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX2 P34913 2/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 3/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL9831734 1.00 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRMAPK1TP53
SCHEMBL7898085 0.89 TSHR (0.56) SMN1; SMN2ALDH1A1TSHRMAPK1TP53
SCHEMBL7890180 0.89 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TSHRMAPK1TP53
SCHEMBL9829571 0.89 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TSHRMAPK1TP53
SCHEMBL9831322 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TSHRMAPK1TP53
SCHEMBL7899963 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TSHRMAPK1TP53
SCHEMBL23441779 0.83 TP53 (0.57) SMN1; SMN2ALDH1A1TSHRMAPK1TP53
SCHEMBL9829561 0.83 CYP3A4 (0.48) SMN1; SMN2ALDH1A1TSHRMAPK1TP53
SCHEMBL9829569 0.83 CYP3A4 (0.48) SMN1; SMN2ALDH1A1TSHRMAPK1TP53
SCHEMBL9830617 0.83 PSMB5 (0.51) SMN1; SMN2ALDH1A1TSHRMAPK1TP53

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-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed