SCHEMBL9748537

SCHEMBL9748537

C=CCC(CCc1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
CYP1A2 P05177 1/20 0.48
GRIK1 P39086 2/20 0.46
TBXAS1 P24557 1/20 0.46
CPA3 P15088 2/20 0.45
LAP3 P28838 3/20 0.44
ERAP2 Q6P179 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ANPEP P15144 1/20 0.44
CPA1 P15085 1/20 0.43
GRIK2 Q13002 1/20 0.43

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
SCHEMBL6406722 0.87 GRIK1 (0.52) CYP2C19GRIK1TBXAS1
SCHEMBL1748144 0.84 CYP1A2 (0.50) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL1857365 0.83 CYP1A2 (0.61) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL9007628 0.82 CYP1A2 (0.68) CYP2C19CYP1A2CPA3CPA1
SCHEMBL629350 0.82 CYP1A2 (0.68) CYP2C19CYP1A2CPA3CPA1
SCHEMBL252900 0.82 CYP1A2 (0.68) CYP2C19CYP1A2CPA3CPA1
SCHEMBL10815251 0.82 SMN1; SMN2 (0.49)
SCHEMBL10815252 0.82 SMN1; SMN2 (0.49)
Water SCHEMBL4010621 0.81 CYP1A2 (0.59) CYP1A2GRIK1CPA3LAP3ERAP2
SCHEMBL7439191 0.81 GRIK1 (0.64) CYP1A2GRIK1CPA3LAP3ERAP2

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-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP disclosed
US-4677193-A GONADOTROPIN-RELEASING FACTOR ANALOGS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1987-06-30 US disclosed
EP-0192492-A2 Peptides containing an aliphatic-aromatic ketone side chain THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1986-08-27 EP disclosed