SCHEMBL8333301

SCHEMBL8333301

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C([O])=O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.70
CTSS P25774 4/20 0.70
CTSB P07858 3/20 0.70
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
LMNA P02545 1/20 0.67
CTSK P43235 5/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
RAB9A P51151 1/20 0.64
CASP3 P42574 2/20 0.57
MME P08473 1/20 0.53
ECE1 P42892 1/20 0.53
ATM Q13315 1/20 0.53
SYK P43405 1/20 0.51

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
SCHEMBL221434 0.90 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL8837339 0.90 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL8837344 0.90 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL221435 0.90 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL5145628 0.90 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL24734375 0.90 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL7264750 0.90 CTSL (0.71) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL16270354 0.89 MEN1 (0.70) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL8662503 0.89 CTSB (0.70) CTSLCTSSCTSBMEN1KMT2A
SCHEMBL10448131 0.88 CTSL (0.68) CTSLCTSSCTSBMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925633-A ADMINISTERING AS ANTIMETASTASIS AGENT SYNPHAR LABORATIES, INC. (CA) 1999-07-20 US disclosed
WO-1997032580-A1 3-SUBSTITUTED-4-OXA-1-AZABICYCLO[3,2,0]HEPTAN-7-ONE AS CYSTEINE PROTEASE INHIBITORS SYNPHAR LABORATORIES INC. (US) 1997-09-12 WO disclosed