SCHEMBL8330842

SCHEMBL8330842

CCCC(C(=O)O)(C(=O)O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
EPHX1 P07099 5/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
SSTR4 P31391 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
NAAA Q02083 2/20 0.33
CCR2 P41597 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM4 P08173 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL16732009 0.98 KEAP1 (0.36) CYP1A2EPHX1KDM4EALDH1A1KEAP1
SCHEMBL4581023 0.89 LMNA (0.33) CYP1A2ALDH1A1
SCHEMBL4580955 0.89 LMNA (0.33) CYP1A2ALDH1A1
SCHEMBL11023958 0.84 ALDH1A1 (0.36) CYP1A2KDM4EALDH1A1CHRM2CHRM1
SCHEMBL8735978 0.83 KEAP1 (0.37) CYP1A2EPHX1KDM4EALDH1A1KEAP1
SCHEMBL16732329 0.82 EPHX2 (0.38) EPHX1KDM4EALDH1A1CHRM2CHRM1
SCHEMBL4969315 0.82 ARG1 (0.41) EPHX1CYP2D6CCR2
SCHEMBL21269331 0.81 KEAP1 (0.36) CYP1A2EPHX1KDM4EALDH1A1KEAP1
SCHEMBL21269269 0.81 KEAP1 (0.36) CYP1A2EPHX1KDM4EALDH1A1KEAP1
SCHEMBL21269191 0.81 KEAP1 (0.36) CYP1A2EPHX1KDM4EALDH1A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108780918-A Solid electrolyte composition, sheet containing solid electrolyte, all-solid-state secondary battery, solid electrolyte composition, sheet containing solid electrolyte, and method for producing all-solid-state secondary battery 富士胶片株式会社 2018-11-09 CN disclosed
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed