SCHEMBL8567923

SCHEMBL8567923

CCOC(=O)CCc1ccc(-c2ccccc2)cc1O

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.58
CYP4A11 Q02928 3/20 0.58
PTPN1 P18031 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 1/20 0.43

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
SCHEMBL2536319 0.89 CYP4F2 (0.55) CYP4F2CYP4A11PTPN1CYP1A2CYP3A4
SCHEMBL21439302 0.86 PKM (0.49) SMN1; SMN2POLBALDH1A1ALOX5
Hexane SCHEMBL21545246 0.81 NR4A1 (0.48) SMN1; SMN2POLBALDH1A1
Hexane SCHEMBL31090093 0.81 NR4A1 (0.48) SMN1; SMN2POLBALDH1A1
SCHEMBL434221 0.81 CYP4F2 (0.58) CYP4F2CYP4A11
SCHEMBL1246063 0.81 CYP4F2 (0.76) CYP4F2CYP4A11PTPN1CYP1A2CYP3A4
SCHEMBL18670035 0.80 CYP4F2 (0.48) CYP4F2CYP4A11PTPN1CYP3A4CYP2C9
SCHEMBL2428470 0.80 CYP4F2 (0.57) CYP4F2CYP4A11PTPN1ALDH1A1
SCHEMBL2772418 0.79 CYP4F2 (0.68) CYP4F2CYP4A11PTPN1ALOX5
SCHEMBL10635313 0.79 CYP4F2 (0.53) CYP4F2CYP4A11POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed