SCHEMBL6696949

SCHEMBL6696949

CCCc1cccc(COC(C)=O)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
CYP3A4 P08684 1/20 0.47
IDH1 O75874 1/20 0.43
KAT6A Q92794 1/20 0.42
MIF P14174 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
ALOX5 P09917 1/20 0.41
PRKDC P78527 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6709375 0.89 ALDH1A1 (0.73) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL5430015 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4IDH1MIFCYP4F2
SCHEMBL22678650 0.86 ALDH1A1 (0.70) ALDH1A1CYP3A4IDH1
SCHEMBL16154053 0.86 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIF
SCHEMBL5437580 0.85 ALDH1A1 (0.58) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL7671543 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFCYP4F2
SCHEMBL7671540 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL801397 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4IDH1MIFPRKDC
SCHEMBL14233717 0.82 LMNA (0.45) KAT6A
SCHEMBL6693082 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2

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-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed