SCHEMBL9748533

SCHEMBL9748533

C=CCc1ccccc1C(CC)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
LMNA P02545 1/20 0.36
PTGS2 P35354 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL4062734 0.83 LMNA (0.41) CYP2C19GABRA1GABRB2ALDH1A1HSD17B10
SCHEMBL6406721 0.83 CYSLTR2 (0.45) CYP2C19ALDH1A1
SCHEMBL7167286 0.81 PTGS2 (0.46) CYP2C19ADRA2AADRA2BADRA2CGABRA1
SCHEMBL21409442 0.80 KMT2A (0.40) KDM4EALDH1A1GAAHSD17B10CYP1A2
SCHEMBL10952808 0.79 CYP2C19 (0.60) CYP2C19GABRA1GABRB2ALDH1A1CYP1A2
SCHEMBL7691515 0.79 LMNA (0.42) CYP2C19ADRA2AADRA2BADRA2CGABRA1
SCHEMBL4941343 0.79 TSHR (0.39) ALDH1A1HSD17B10CYP1A2AKR1C3AKR1C2
SCHEMBL11736053 0.78 GABRA1 (0.43) GABRA1GABRB2HSD17B10AKR1C3AKR1C2
SCHEMBL6395365 0.78 L3MBTL1 (0.44) ALDH1A1HSD17B10CYP1A2AKR1C3AKR1C2
SCHEMBL7993792 0.78 CYP2C19 (0.45) CYP2C19ALDH1A1HSD17B10CYP1A2AKR1C3

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