SCHEMBL15515930

SCHEMBL15515930

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL10767023 0.73 CYP1A2 (0.35) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL10767020 0.73 CYP1A2 (0.35) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL8073268 0.73 CYP1A2 (0.35) CYP1A2CYP2D6MAPTCYP2C9CYP2C19
SCHEMBL29127352 0.73 LDHA (0.57) FNTAFNTBLDHASRRCYP2D6
SCHEMBL578968 0.73 LDHA (0.57) FNTAFNTBLDHASRRCYP2D6
SCHEMBL1855287 0.73 LDHA (0.57) FNTAFNTBLDHASRRCYP2D6
SCHEMBL5178003 0.72 FNTA (0.46) FNTAFNTBLDHASRRHSD17B10
SCHEMBL676153 0.70 GRIK1 (0.48) FNTAFNTBLDHASRRHSD17B10
SCHEMBL810648 0.68 FNTA (0.54) FNTAFNTBLDHASRRKDM4E
SCHEMBL6515618 0.68 KDM4E (0.41) FNTAFNTBLDHASRRKDM4E

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-8673508-B2 Nonaqueous electrolyte for lithium battery and lithium battery using same UBE INDUSTRIES, LTD. (JP) 2014-03-18 US claimed
US-8673508-B2 Nonaqueous electrolyte for lithium battery and lithium battery using same UBE INDUSTRIES, LTD. (JP) 2014-03-18 US disclosed