SCHEMBL6201683

SCHEMBL6201683

COC(=O)CC(N)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.53
CTRB1 P17538 2/20 0.51
ATM Q13315 2/20 0.51
CASP1 P29466 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
CTSK P43235 3/20 0.49
KYNU Q16719 1/20 0.49
ABCB1 P08183 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
ELANE P08246 1/20 0.48
CTSB P07858 1/20 0.48

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
Hydrochloric Acid SCHEMBL6538867 0.99 TRPM8 (0.52) TRPM8CTRB1ATMCASP1ALDH1A1
Hydrochloric Acid SCHEMBL7212603 0.99 TRPM8 (0.52) TRPM8CTRB1ATMCASP1ALDH1A1
Hydrochloric Acid SCHEMBL6939391 0.99 TRPM8 (0.52) TRPM8CTRB1ATMCASP1ALDH1A1
Hydrochloric Acid SCHEMBL6933216 0.90 CTRB1 (0.52) TRPM8CTRB1ATMCASP1ALDH1A1
Hydrochloric Acid SCHEMBL6941305 0.88 CASP1 (0.48) TRPM8CTRB1ATMCASP1CTSK
Hydrochloric Acid SCHEMBL6940413 0.88 CASP1 (0.48) TRPM8CTRB1ATMCASP1CTSK
Hydrochloric Acid SCHEMBL7421595 0.88 CASP1 (0.48) TRPM8CTRB1ATMCASP1CTSK
SCHEMBL6200622 0.87 CASP1 (0.56) TRPM8CTRB1ATMCASP1CA12
SCHEMBL6941323 0.87 CASP1 (0.56) TRPM8CTRB1ATMCASP1CA12
SCHEMBL6937929 0.87 CASP1 (0.56) TRPM8CTRB1ATMCASP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165532-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-01-12 EP disclosed
US-6503897-B1 N-Formylhydroxylamine derivatives; veterinary medicine; grampositive and gramnegative bacteria BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-01-07 US disclosed
EP-1165532-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-02 EP disclosed
WO-2000058294-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-05 WO disclosed