SCHEMBL4630499

SCHEMBL4630499

C=Cc1ccc(C)c(C=CC(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 3/20 0.39
NFKB1 P19838 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MIF P14174 1/20 0.38
ESR1 P03372 2/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PKM P14618 3/20 0.37
HCAR2 Q8TDS4 2/20 0.37
CA12 O43570 2/20 0.37
AKR1B10 O60218 2/20 0.37
CA3 P07451 2/20 0.37
AKR1B1 P15121 2/20 0.37
CA6 P23280 2/20 0.37
DPP4 P27487 2/20 0.37

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
SCHEMBL2175226 0.79 PTGER3 (0.45) CA1CA2CA4NFKB1ALDH1A1
SCHEMBL11321981 0.78 ALDH1A1 (0.50) CA1CA2CA4NFKB1ALDH1A1
SCHEMBL11769039 0.76 CA1 (0.43) CA1CA2CA4NFKB1ALDH1A1
SCHEMBL11830369 0.76 PTGER1 (0.48) CA1CA2CA4NFKB1ALDH1A1
SCHEMBL17479265 0.76 CA1 (0.43) CA1CA2CA4NFKB1ALDH1A1
SCHEMBL4670448 0.74 PTGER1 (0.52) CA1CA2CA4NFKB1ALDH1A1
SCHEMBL2175224 0.72 KDM4E (0.50) CA1CA2CA4NFKB1ALDH1A1
SCHEMBL19913000 0.72 CA1 (0.46) CA1CA2CA4NFKB1SMN1; SMN2
SCHEMBL5613528 0.72 CA1 (0.46) CA1CA2CA4NFKB1SMN1; SMN2
SCHEMBL2059378 0.71 HCAR2 (0.50) CA1CA2CA4NFKB1ALDH1A1

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-2059216-B1 MICROENCAPSULATED DELIVERY VEHICLE HAVING AN AQUEOUS CORE KIMBERLY CLARK CO (US) 2016-02-17 EP claimed
EP-1799775-B1 ANTICORROSIVE AGENT AND METHOD FOR THE PRODUCTION THEREOF SFS HANDELS HOLDING AG (CH) 2008-05-14 EP disclosed
EP-1799775-A1 ANTICORROSIVE AGENT AND METHOD FOR THE PRODUCTION THEREOF SFS Handels Holding AG (CH) 2007-06-27 EP disclosed
WO-2006105683-A1 ANTICORROSIVE AGENT AND METHOD FOR THE PRODUCTION THEREOF SFS HANDELS HOLDING AG (CH) 2006-10-12 WO disclosed