SCHEMBL28328831

SCHEMBL28328831

C=C(C)C(=O)OCCC(c1ccccc1)C(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HPGD P15428 2/20 0.41
▸ TSHR P16473 3/20 0.40
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNB4 P30926 2/20 0.40
▸ CHRNA3 P32297 2/20 0.40
▸ CHRNA4 P43681 2/20 0.40
▸ ELANE P08246 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CHRM2 P08172 3/20 0.37
▸ CHRM1 P11229 3/20 0.37
▸ CHRM3 P20309 3/20 0.37
▸ CHRM4 P08173 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL29085583 0.88 POLB (0.41) POLBAPEX1HTTTDP1HPGD
SCHEMBL235139 0.85 MTNR1A (0.49) POLBAPEX1HTTTDP1HPGD
SCHEMBL13801021 0.84 HPGD (0.44) POLBAPEX1HTTTDP1HPGD
SCHEMBL13801022 0.79 POLB (0.49) POLBAPEX1HTTTDP1HPGD
SCHEMBL28037217 0.79 POLB (0.43) POLBAPEX1HTTTDP1HPGD
SCHEMBL14192622 0.78 THRB (0.42) POLBAPEX1HTTTDP1HPGD
SCHEMBL27371666 0.78 POLB (0.42) POLBAPEX1HTTTDP1HPGD
SCHEMBL14192618 0.78 TDP1 (0.48) POLBAPEX1HTTTDP1HPGD
SCHEMBL15901492 0.78 TDP1 (0.50) POLBAPEX1HTTTDP1HPGD
SCHEMBL27706308 0.77 POLB (0.38) POLBAPEX1HTTTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110305526-A A kind of radiation curing gravure ink composition containing modified pigment 常州格林感光新材料有限公司 2019-10-08 — — CN disclosed
Send feedback