SCHEMBL8639460

SCHEMBL8639460

O=C(O)C(C(=O)O)C1(C(C(=O)O)C(=O)O)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
BLM P54132 1/20 0.33
CACNA2D1 P54289 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MME P08473 2/20 0.32
NFKB1 P19838 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
SCHEMBL3516271 0.92 TSHR (0.37) CYP2C19TSHRNFKB1
SCHEMBL27672185 0.85 FFAR3 (0.32) CYP2C19TSHRALDH1A1LMNANFKB1
SCHEMBL6289946 0.80 ALDH1A1 (0.35) CYP2C19TSHRALDH1A1LMNACYP1A2
SCHEMBL6287567 0.77 ALDH1A1 (0.33) CYP2C19TSHRALDH1A1LMNACYP1A2
SCHEMBL8670866 0.74 CYP2C19 (0.38) CYP2C19TSHRUSP2ALDH1A1LMNA
SCHEMBL8158504 0.74 MME (0.36) CYP2C19TSHRUSP2ALDH1A1LMNA
SCHEMBL8164050 0.70 MME (0.34) CYP2C19TSHRMMENFKB1
Cyclohexane SCHEMBL4027710 0.69 ALDH1A1 (0.38) CYP2C19TSHRUSP2ALDH1A1LMNA
SCHEMBL14899074 0.69 CYP2C19 (0.34) CYP2C19TSHRALDH1A1SMN1; SMN2MME
SCHEMBL3817810 0.69 ALDH1A1 (0.39) CYP2C19ALDH1A1

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
EP-0655472-B1 Microwave-polymerizable isocyanate/epoxy resins for heavy-duty applications ENIRICERCHE SPA (IT) 1998-07-29 EP disclosed
US-5489664-A Microwave-polymerizable isocyanate/epoxy resins for heavy-duty applications ENICHEM S.P.A. (IT) 1996-02-06 US disclosed
EP-0655472-A1 Microwave-polymerizable isocyanate/epoxy resins for heavy-duty applications ENIRICERCHE S.p.A. (IT) 1995-05-31 EP disclosed