SCHEMBL10795643

SCHEMBL10795643

CCCCCCC#Cc1ccccc1C#CCCC(C(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.56
CYSLTR1 Q9Y271 1/20 0.56
CYP3A4 P08684 5/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP1A2 P05177 2/20 0.48
LMNA P02545 1/20 0.48
CYP2D6 P10635 1/20 0.48
APEX1 P27695 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
TSHR P16473 1/20 0.45
MMP2 P08253 2/20 0.45
MMP12 P39900 2/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL10794844 0.89 CYSLTR2 (0.54) CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19
SCHEMBL10794792 0.87 CYP3A4 (0.47) CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19
SCHEMBL10795393 0.87 CYP3A4 (0.52) CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19
SCHEMBL10794549 0.86 CYP3A4 (0.47) CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19
SCHEMBL10800365 0.83 CYSLTR2 (0.49) CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19
SCHEMBL10753710 0.83 CYP3A4 (0.55) CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19
SCHEMBL6371432 0.83 KCNH2 (0.58) CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19
SCHEMBL10795684 0.82 CYP3A4 (0.48) CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19
SCHEMBL10795247 0.82 CYSLTR2 (0.65) CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19
SCHEMBL10798170 0.79 CYP3A4 (0.63) CYSLTR2CYSLTR1CYP3A4CYP2C9CYP2C19

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
EP-0207599-A1 Arachidonic acid analogues BEECHAM GROUP PLC (GB) 1987-01-07 EP claimed
EP-0207599-A1 Arachidonic acid analogues BEECHAM GROUP PLC (GB) 1987-01-07 EP disclosed