SCHEMBL13995201

SCHEMBL13995201

COC(C)C(=O)OCCCC(CCC(=O)O)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 11/20 0.37
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KISS1R Q969F8 1/20 0.31

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
SCHEMBL13995206 0.91 ALDH1A1 (0.41) ALDH1A1
SCHEMBL13995204 0.91 ALDH1A1 (0.41) ALDH1A1
SCHEMBL13995188 0.91 FOLH1 (0.38) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL13995190 0.87 ALDH1A1 (0.39) FOLH1ALDH1A1
SCHEMBL13995191 0.86 KISS1R (0.32) FOLH1KISS1R
SCHEMBL13995184 0.83 GABRP (0.37) FOLH1GABRPGABRDGABRA1GABRB1
SCHEMBL12141561 0.82 MMP2 (0.33) KISS1R
SCHEMBL13995175 0.81 USP2 (0.34) ALDH1A1KISS1RPLA2G2C
SCHEMBL13995185 0.79 ALDH1A1 (0.36) FOLH1ALDH1A1
SCHEMBL12141520 0.78 ALDH1A1 (0.39) ALDH1A1

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-7470768-B2 Polyhydroxyalkanoate having vinyl group, ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2008-12-30 US disclosed
US-20070073006-A1 Polyhydroxyalkanoate having vinyl group, ester group, carboxyl group, and sulfonic group, and method of producing the same CANON KABUSHIKI KAISHA (JP) 2007-03-29 US disclosed