SCHEMBL7449750

SCHEMBL7449750

COc1ccc2cc(C(=O)c3cc4ccc(OC)cc4cc3C(=O)O)ccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
ALDH1A1 P00352 6/20 0.54
HPGD P15428 3/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C19 P33261 2/20 0.54
HSD17B10 Q99714 1/20 0.54
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
SLC16A3 O15427 1/20 0.51
CA12 O43570 1/20 0.51
CA3 P07451 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51

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
SCHEMBL7560635 0.86 KDM4E (0.66) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL8461552 0.83 KDM4E (0.89) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL11810869 0.83 KDM4E (0.75) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7560673 0.82 KDM4E (0.60) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL4948373 0.82 KDM4E (0.64) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL7560634 0.82 KDM4E (0.80) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL1145072 0.82 KDM4E (0.93) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL8132 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL34463427 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDCYP1A2CYP2C19
SCHEMBL11271721 0.81 KDM4E (0.57) KDM4EALDH1A1HPGDCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163372-A4 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES PRINCETON SEPARATIONS (US) 2002-10-02 EP disclosed
EP-1163372-A1 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES Princeton Separations (US) 2001-12-19 EP disclosed
WO-2000056933-A1 CHEMICALLY REACTIVE PLANE-RIGIDIZED CYANINE DYES AND THEIR DERIVATIVES PRINCETON SEPARATIONS (US) 2000-09-28 WO disclosed