SCHEMBL9830850

SCHEMBL9830850

O=C(N[C@H](C(=O)O)C(O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.54
CTSS P25774 4/20 0.54
ATM Q13315 2/20 0.53
CTRB1 P17538 2/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 4/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KLK1 P06870 1/20 0.50
CYP2C9 P11712 4/20 0.49
TSHR P16473 3/20 0.49
CYP2C19 P33261 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CTSB P07858 2/20 0.49
POLB P06746 1/20 0.49
CASP1 P29466 1/20 0.49
CYP2D6 P10635 1/20 0.49
CA12 O43570 1/20 0.49

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
SCHEMBL9830841 1.00 CTSL (0.54) CTSLCTSSATMCTRB1ALDH1A1
SCHEMBL16587917 1.00 CTSL (0.54) CTSLCTSSATMCTRB1ALDH1A1
SCHEMBL12069024 0.89 TRPM8 (0.58) CTSLCTSSATMCTRB1ALDH1A1
SCHEMBL8150285 0.89 TRPM8 (0.58) CTSLCTSSATMCTRB1ALDH1A1
SCHEMBL29161404 0.88 ATM (0.65) CTSLCTSSATMALDH1A1CYP3A4
SCHEMBL7886288 0.88 CTRB1 (0.60) CTSLCTSSATMCTRB1LMNA
SCHEMBL20529450 0.88 CTRB1 (0.60) CTSLCTSSATMCTRB1LMNA
SCHEMBL29467644 0.88 CTRB1 (0.60) CTSLCTSSATMCTRB1LMNA
SCHEMBL7451788 0.87 ATM (0.54) CTSLCTSSATMCTRB1ALDH1A1
SCHEMBL19625531 0.86 KLK1 (0.49) CTSLCTSSATMCTRB1LMNA

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