SCHEMBL28811116

SCHEMBL28811116

CCOC(=O)CCc1ccc(OC)c(C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.52
▸ CYP4A11 Q02928 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CYP4Z1 Q86W10 1/20 0.46
▸ PDE3B Q13370 1/20 0.45
▸ PDE3A Q14432 1/20 0.45
▸ P2RY12 Q9H244 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ ALOX5 P09917 2/20 0.42
▸ OR51E2 Q9H255 1/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA9 Q16790 2/20 0.41

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
SCHEMBL3790720 0.87 ALOX5 (0.48) ALDH1A1SMN1; SMN2KMT2AALOX5OR51E2
SCHEMBL4327658 0.86 GAA (0.50) CYP4F2CYP4A11ALDH1A1CYP1A2CYP2C19
SCHEMBL491276 0.84 CYP4F2 (0.59) CYP4F2CYP4A11CYP1A2LMNASMN1; SMN2
SCHEMBL8984891 0.83 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL2632416 0.83 CYP4F2 (0.58) CYP4F2CYP4A11ALDH1A1CYP4Z1PDE3B
SCHEMBL5955075 0.82 LTA4H (0.53) CYP4F2CYP4A11CYP1A2CYP2C19LTA4H
SCHEMBL491225 0.82 CYP19A1 (0.60) CYP4F2CYP4A11CYP1A2CYP2C19LMNA
SCHEMBL2432179 0.82 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL4450867 0.81 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1CYP4Z1LMNA
SCHEMBL5685284 0.81 CALM1 (0.57) CYP4F2CYP4A11ALDH1A1LMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103965173-A Compounds and methods for treating estrogen receptor-related disorders HENOGEN PHARMA GROUP LTD 2014-08-06 — — CN disclosed
CN-103965172-A Compounds and methods for treating estrogen receptor-related disorders SHENOGEN PHARMA GROUP LTD 2014-08-06 — — CN disclosed
CN-103755673-A Compounds and methods for treating estrogen receptor-related disorders SHENOGEN PHARMA GROUP LTD 2014-04-30 — — CN disclosed
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