SCHEMBL11061807

SCHEMBL11061807

CCCCc1cc(C(=O)O)cc(CCCC)c1CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.47
PLA2G2A P14555 1/20 0.46
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
TPMT P51580 1/20 0.43
CTRC Q99895 1/20 0.42

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
SCHEMBL29129461 0.93 PLA2G2A (0.51) RARBPLA2G2AGPR35ALDH1A1MEN1
SCHEMBL1236242 0.93 PLA2G2A (0.51) RARBPLA2G2AGPR35ALDH1A1MEN1
Methyl Alcohol SCHEMBL7192588 0.91 PLA2G2A (0.50) RARBPLA2G2AGPR35ALDH1A1MEN1
SCHEMBL27691164 0.90 GABRP (0.48) RARBPLA2G2AGABRPGABRDGABRA1
SCHEMBL6067636 0.85 ALDH1A1 (0.55) RARBPLA2G2AGABRPGABRDGABRA1
SCHEMBL10634235 0.82 TPMT (0.40) RARBTPMTALDH1A1HPGDMAPK1
SCHEMBL29279327 0.82 ESR1 (0.47) RARBPLA2G2AGABRPGABRDGABRA1
SCHEMBL27573333 0.82 GABRP (0.48) RARBPLA2G2AGABRPGABRDGABRA1
SCHEMBL22428742 0.81 TTR (0.43) RARBPLA2G2AGABRPGABRDGABRA1
SCHEMBL11803143 0.81 HPGD (0.60) RARBPLA2G2ATPMTCTRCALDH1A1

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
US-4469820-A Polyurethane prepared from a polyoxyalkylene containing an oxidation inhibiting amount of a benzoic acid salt BASF WYANDOTTE CORPORATION (US) 1984-09-04 US disclosed
US-4426300-A Oxidation stable polyoxyalkylenes containing salts of benzoic acid derivatives BASF WYANDOTTE CORPORATION (US) 1984-01-17 US disclosed