SCHEMBL9068637

SCHEMBL9068637

CCCCCCCc1cc(N)ccc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.54
GABRP O00591 2/20 0.52
GABRD O14764 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRB1 P18505 2/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRA5 P31644 2/20 0.52
GABRA3 P34903 2/20 0.52
GABRA2 P47869 2/20 0.52
GABRB2 P47870 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRE P78334 2/20 0.52
GABRA6 Q16445 2/20 0.52
GABRG1 Q8N1C3 2/20 0.52
GABRG3 Q99928 2/20 0.52
GABRQ Q9UN88 2/20 0.52
HPSE Q9Y251 2/20 0.51
KAT8 Q9H7Z6 4/20 0.50
PPARG P37231 2/20 0.50

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
SCHEMBL9068780 1.00 PPARA (0.54) PPARAGABRPGABRDGABRA1GABRB1
SCHEMBL6112733 1.00 PPARA (0.54) PPARAGABRPGABRDGABRA1GABRB1
SCHEMBL4327627 1.00 PPARA (0.54) PPARAGABRPGABRDGABRA1GABRB1
SCHEMBL2481632 0.98 GABRP (0.54) PPARAGABRPGABRDGABRA1GABRB1
SCHEMBL31117550 0.94 GABRP (0.59) PPARAGABRPGABRDGABRA1GABRB1
SCHEMBL240794 0.94 GABRP (0.59) PPARAGABRPGABRDGABRA1GABRB1
SCHEMBL30833194 0.92 MAPT (0.53) PPARAGABRPGABRDGABRA1GABRB1
SCHEMBL29632107 0.90 ALDH1A1 (0.55) PPARAGABRPGABRDGABRA1GABRB1
SCHEMBL343331 0.90 ALDH1A1 (0.55) PPARAGABRPGABRDGABRA1GABRB1
SCHEMBL1931833 0.87 MAPT (0.52) PPARAGABRPGABRDGABRA1GABRB1

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-5482986-A ULTRAVIOLET RADIATION ABSORBER FOR THERMOPLASTIC RESINS; COLORLESS, HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INC. (JP) 1996-01-09 US disclosed
EP-0635504-A1 Benzopyran compound and use of the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-01-25 EP disclosed