SCHEMBL8517221

SCHEMBL8517221

CCCCc1cc(CC(C(=O)O)C(=O)O)cc(CCCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.43
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TYR P14679 1/20 0.39
LDHA P00338 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38

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
SCHEMBL10821783 0.95 PTGS2 (0.43) HSD17B10TYRALOX5HTTPPARG
SCHEMBL10821778 0.94 PTGS2 (0.44) HSD17B10TYRALOX5HTTPPARG
SCHEMBL31327007 0.86 PPARG (0.48) EGFRTYRALOX5MAPK1PTGES
SCHEMBL31261059 0.84 EGFR (0.39) EGFRHPGDALDH1A1HSD17B10TYR
SCHEMBL9449134 0.84 PPARG (0.47) EGFRTYRALOX5MAPK1PTGES
SCHEMBL10821844 0.84 LDHA (0.43) HPGDALDH1A1HSD17B10LDHAGABRA1
SCHEMBL1271148 0.82 PPARG (0.48) EGFRTYRALOX5MAPK1HTT
SCHEMBL18396181 0.82 PPARG (0.48) EGFRTYRALOX5MAPK1HTT
SCHEMBL7211982 0.82 PPARG (0.40) EGFRHPGDALDH1A1HSD17B10TYR
SCHEMBL9759730 0.82 PTGES (0.40) EGFRHPGDALDH1A1HSD17B10TYR

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-0902853-A1 THERMALLY STABLE ACOUSTICAL INSULATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-03-24 EP disclosed
WO-1997045581-A1 THERMALLY STABLE ACOUSTICAL INSULATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-04 WO disclosed