SCHEMBL28434616

SCHEMBL28434616

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.42
CYP4A11 Q02928 2/20 0.42
ACHE P22303 6/20 0.35
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
LMNA P02545 2/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD1 P21728 1/20 0.33
HRH2 P25021 1/20 0.33

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
SCHEMBL28174490 0.90 CYP4F2 (0.41) CYP4F2CYP4A11ACHEGAAALDH1A1
SCHEMBL28971898 0.86 TSHR (0.35) CYP4F2CYP4A11ALDH1A1CYP3A4SIGMAR1
SCHEMBL25433243 0.86 TSHR (0.35) CYP4F2CYP4A11ALDH1A1CYP3A4SIGMAR1
SCHEMBL27964099 0.84 CYP4F2 (0.35) CYP4F2CYP4A11ACHEGAA
SCHEMBL16086086 0.83 NAAA (0.46) ALDH1A1CYP3A4LMNATSHRMAPK1
SCHEMBL6943690 0.82 GAA (0.37) GAAALDH1A1CYP3A4SIGMAR1LMNA
SCHEMBL16949823 0.81 NAAA (0.48) ACHEALDH1A1LMNATSHRMAPK1
SCHEMBL17812541 0.81 NAAA (0.48) ACHEALDH1A1LMNATSHRMAPK1
SCHEMBL588990 0.81 NAAA (0.48) ACHEALDH1A1LMNATSHRMAPK1
SCHEMBL22361226 0.81 NAAA (0.48) ACHEALDH1A1LMNATSHRMAPK1

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
CN-111533868-B Polyurethane for low-speed solid tire 浙江华峰新材料有限公司 2021-10-26 CN disclosed
CN-111533868-A Polyurethane for low-speed solid tire 浙江华峰新材料有限公司 2020-08-14 CN disclosed