SCHEMBL6990838

SCHEMBL6990838

CCOC(=O)CCc1cccc(O)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.59
CYP4A11 Q02928 3/20 0.59
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
IAPP P10997 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NLRP3 Q96P20 2/20 0.41
DGAT2 Q96PD7 1/20 0.41
CDYL Q9Y232 1/20 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
SCHEMBL9983485 0.86 CYP4F2 (0.53) CYP4F2CYP4A11ALDH1A1GAACA12
SCHEMBL490584 0.84 IAPP (0.64) CYP4F2CYP4A11ALDH1A1GAACA12
SCHEMBL16318789 0.84 CYP4F2 (0.62) CYP4F2CYP4A11ALDH1A1GAACA12
SCHEMBL1246063 0.84 CYP4F2 (0.76) CYP4F2CYP4A11ALDH1A1GAACA12
SCHEMBL11683616 0.83 CYP4F2 (0.60) CYP4F2CYP4A11ALDH1A1GAACA12
SCHEMBL27330479 0.82 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL9983831 0.82 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1GAASMN1; SMN2
SCHEMBL5379790 0.82 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAACA12
SCHEMBL16318854 0.82 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAACA12
SCHEMBL6718325 0.82 CYP4F2 (0.59) CYP4F2CYP4A11ALDH1A1GAACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1352900-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
EP-1352899-A1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2003-10-15 EP disclosed
EP-0912504-B1 Oxazolidine ester UPJOHN CO (US) 2002-09-11 EP disclosed
US-6307064-B1 PHENYLISOSERINE ESTER OF SILYLATED BACCATIN III PHARMACIA & UPJOHN COMPANY 2001-10-23 US disclosed
EP-1114815-A2 Process to prepare taxol PHARMACIA & UPJOHN COMPANY (US) 2001-07-11 EP disclosed
US-6177573-B1 Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2001-01-23 US disclosed
US-6057452-A Process to prepare taxol PHARMACIA & UPJOHN COMPANY 2000-05-02 US disclosed
EP-0912504-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1999-05-06 EP disclosed
WO-1997042167-A1 PROCESS TO PREPARE TAXOL PHARMACIA & UPJOHN COMPANY (US) 1997-11-13 WO disclosed