SCHEMBL9539422

SCHEMBL9539422

CC(CCC(=O)O)C(C)C(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRA1 P14867 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRA5 P31644 2/20 0.48
GABRA3 P34903 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
TET2 Q6N021 3/20 0.44
KDM4A O75164 2/20 0.44
KDM4C Q9H3R0 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
SCHEMBL11850047 0.87 CYP1A2 (0.45) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL1261788 0.86 CYP1A2 (0.58) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL760414 0.80 GABRP (0.56) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL244922 0.80 GABRP (0.56) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL14360718 0.80 GABRP (0.62) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL891187 0.79 CHRM1 (0.48) GRIK1SLC1A3SLC1A2SLC1A1GRIK2
SCHEMBL13309464 0.77 GABRP (0.48) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL2346353 0.76 TDP1 (0.42) CYP1A2FOLH1
SCHEMBL29183913 0.75 ALDH1A1 (0.39) CYP1A2
SCHEMBL22283560 0.74 CYP1A2 (0.86) CYP1A2GABRPGABRDGABRA1GABRB1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993007240-A1 PROCESS FOR PRODUCING FLUIDS OF ENHANCED THERMAL STABILITY EXXON CHEMICAL PATENTS INC. (US) 1993-04-15 WO disclosed