SCHEMBL6804055

SCHEMBL6804055

CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OC1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.59
CTSS P25774 3/20 0.59
CTSB P07858 3/20 0.59
CYP3A4 P08684 3/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RAB9A P51151 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
CTSK P43235 4/20 0.55
CASP3 P42574 2/20 0.50
MME P08473 1/20 0.47
ECE1 P42892 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 2/20 0.47

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
SCHEMBL6804053 1.00 CTSL (0.59) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL3729439 0.90 CTSL (0.56) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL6908194 0.85 CTSL (0.60) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL31723013 0.84 CYP1A2 (0.56) CTSLCTSSCTSBCYP3A4CYP2C9
SCHEMBL9312592 0.84 CTSK (0.49) CTSLCTSSCTSBCYP3A4MEN1
SCHEMBL28855000 0.83 CYP1A2 (0.55) CTSLCTSSCTSBCYP3A4CYP2C9
SCHEMBL26276986 0.83 CYP1A2 (0.55) CTSLCTSSCTSBCYP3A4CYP2C9
SCHEMBL607313 0.83 CYP1A2 (0.55) CTSLCTSSCTSBCYP3A4CYP2C9
SCHEMBL8662503 0.83 CTSB (0.70) CTSLCTSSCTSBCYP3A4CYP2D6
SCHEMBL16270354 0.83 MEN1 (0.70) CTSLCTSSCTSBCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US disclosed
US-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed
EP-0925278-B1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARM (GB) 2002-07-17 EP disclosed
US-6169075-B1 ANTITUMOR AGENT INHIBITING THE PROLIFERATION OF A RANGE OF RAPIDLY DIVIDING TUMOUR CELLS LIKE MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-01-02 US disclosed
EP-0925278-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-06-30 EP disclosed
WO-1998011063-A1 CYTOSTATIC HYDROXAMIC ACID DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-03-19 WO disclosed