SCHEMBL19360285

SCHEMBL19360285

COc1cc(C)c(Oc2cc(C)c(O)c(C)c2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.59
ALOX5 P09917 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
CYP3A4 P08684 3/20 0.45
HPGD P15428 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ALDH1A1 P00352 1/20 0.40
KCNA3 P22001 1/20 0.38
AR P10275 1/20 0.38
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL16639593 1.00 PTPN1 (0.59) PTPN1ALOX5PTGS1PTGS2CYP3A4
SCHEMBL3047027 0.87 CYP3A4 (0.56) PTPN1ALOX5PTGS1PTGS2CYP3A4
SCHEMBL18686393 0.85 CA1 (0.61) PTPN1ALOX5PTGS1PTGS2CYP3A4
SCHEMBL18624702 0.85 PTPN1 (0.51) PTPN1ALOX5PTGS1PTGS2CYP3A4
SCHEMBL18098085 0.85 PTPN1 (0.51) PTPN1ALOX5PTGS1PTGS2CA1
SCHEMBL8840934 0.84 CA1 (0.50) PTPN1ALOX5PTGS1PTGS2CYP3A4
SCHEMBL21811067 0.83 PTPN1 (0.42) PTPN1ALOX5PTGS1PTGS2CA1
SCHEMBL14749884 0.82 PTPN1 (0.46) PTPN1ALOX5PTGS1PTGS2CYP3A4
SCHEMBL13309714 0.82 ALDH1A1 (0.50) PTPN1ALOX5PTGS1PTGS2CA1
SCHEMBL13022462 0.81 PTPN1 (0.66) PTPN1CYP3A4HPGDALDH1A1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267807-A1 POLYPHENYLENE ETHER MODIFIED PHENOL-BENZALDEHYDE MULTIFUNCTIONAL EPOXY RESIN AND USE NAN YA PLASTICS CORPORATION (TW) 2017-09-21 US disclosed