SCHEMBL8444792

SCHEMBL8444792

C=C(C(=O)O)C(C)c1cc(CCCC)c(O)c(CCCC)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
TYR P14679 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
ALOX5 P09917 4/20 0.34
HCAR3 P49019 1/20 0.34

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
SCHEMBL4854736 0.84 EGFR (0.43) EGFRTYRGABRPGABRDGABRA1
SCHEMBL872522 0.81 EGFR (0.43) EGFRTYRGABRPGABRDGABRA1
SCHEMBL13013439 0.80 EGFR (0.48) EGFRTYRGABRPGABRDGABRA1
SCHEMBL11822461 0.80 ALOX5 (0.43) EGFRTYRALOX5HCAR3HCAR2
SCHEMBL1629294 0.79 EGFR (0.41) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL328706 0.78 ALOX5 (0.41) EGFRTYRALOX5PTGS2
SCHEMBL872574 0.78 EGFR (0.40) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL10272267 0.78 ALOX5 (0.41) EGFRTYRALOX5PTGS2
SCHEMBL13013000 0.78 FFAR1 (0.43) EGFRALOX5FFAR1PTGS2
SCHEMBL13180438 0.77 TDP1 (0.40) EGFRTYRALOX5FFAR1PTGS2

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-0898586-A1 PROCESS FOR PREPARING COPOLYMERS AND BLEND COMPOSITIONS CONTAINING THE SAME THE DOW CHEMICAL COMPANY (US) 1999-03-03 EP disclosed
WO-1997043323-A1 PROCESS FOR PREPARING COPOLYMERS AND BLEND COMPOSITIONS CONTAINING THE SAME THE DOW CHEMICAL COMPANY (US) 1997-11-20 WO disclosed