SCHEMBL11873552

SCHEMBL11873552

O=C(O)CCC(=O)OC1(OC(=O)CCC(=O)O)CCCCCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
EGLN1 Q9GZT9 3/20 0.38
CYP2C19 P33261 2/20 0.38
KDM6B O15054 1/20 0.38
KDM5C P41229 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
MAPK1 P28482 2/20 0.31
SLC15A2 Q16348 1/20 0.31
SLC13A3 Q8WWT9 1/20 0.31
OR51E2 Q9H255 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
SCHEMBL5087709 0.82 LMNA (0.42) LMNAEGLN1CYP2C19KDM6BKDM5C
SCHEMBL25397837 0.80 CYP19A1 (0.47) LMNAEGLN1CYP2C19KDM6BKDM5C
SCHEMBL3082567 0.79 CYP2C19 (0.31) CYP2C19
SCHEMBL3100947 0.76 FOLH1 (0.31)
SCHEMBL25404217 0.73 EGLN1 (0.37) LMNAEGLN1KDM6BKDM5CPHF8
SCHEMBL9861921 0.73 NAAA (0.51) LMNAALDH1A1TSHRMAPK1
SCHEMBL6679592 0.72 CYP2C19 (0.36) LMNACYP2C19ALDH1A1CYP1A2SMN1; SMN2
Ethylene Glycol SCHEMBL1241659 0.72 LMNA (0.35) LMNAEGLN1CYP2C19KDM6BKDM5C
SCHEMBL3094999 0.72 CYP2C19 (0.30) CYP2C19
SCHEMBL27566834 0.71 CYP2C19 (0.37) LMNACYP2C19ALDH1A1CYP1A2SMN1; SMN2

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-3933939-A UNSATURATED, COATING KANSAI PAINT COMPANY, LTD. (JA) 1976-01-20 US claimed
US-3933939-A UNSATURATED, COATING KANSAI PAINT COMPANY, LTD. (JA) 1976-01-20 US disclosed