SCHEMBL7630409

SCHEMBL7630409

O=C(O)c1ccc2c(-c3c(OCc4ccccc4)ccc4cc(C(=O)O)ccc34)c(OCc3ccccc3)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.55
NR4A1 P22736 1/20 0.55
NR4A3 Q92570 1/20 0.55
MRGPRX4 Q96LA9 7/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
P2RY14 Q15391 1/20 0.53
SRD5A2 P31213 2/20 0.51
PTGER1 P34995 2/20 0.51
HPGD P15428 2/20 0.49
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
TP53 P04637 1/20 0.49
XBP1 P17861 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49

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
SCHEMBL30929954 0.86 MRGPRX4 (0.62) MRGPRX4MEN1KMT2AHPGDRXRA
SCHEMBL9341996 0.86 MRGPRX4 (0.57) MRGPRX4MEN1KMT2APTGER1HPGD
SCHEMBL30929959 0.84 RXRA (0.57) NR4A2NR4A1NR4A3MRGPRX4MEN1
SCHEMBL29506850 0.84 RXRA (0.57) NR4A2NR4A1NR4A3MRGPRX4MEN1
SCHEMBL30929962 0.84 MRGPRX4 (0.60) MRGPRX4MEN1KMT2AHPGDRXRA
SCHEMBL30929983 0.84 MRGPRX4 (0.78) NR4A2MRGPRX4MEN1KMT2AHPGD
SCHEMBL5921632 0.81 MRGPRX4 (0.76) NR4A2NR4A1NR4A3MRGPRX4MEN1
SCHEMBL5695710 0.81 NR4A2 (0.59) NR4A2NR4A1NR4A3MRGPRX4MEN1
SCHEMBL1600077 0.81 MRGPRX4 (0.62) NR4A2NR4A1NR4A3MRGPRX4MEN1
SCHEMBL29556736 0.81 MRGPRX4 (0.62) NR4A2NR4A1NR4A3MRGPRX4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0938488-B1 PHOSPHINE LIGANDS OXFORD ASYMMETRY INTERNAT PLC (GB) 2002-01-02 EP disclosed
US-6162951-A Phosphine ligands OXFORD ASYMMETRY INTERNATIONAL PLC (GB) 2000-12-19 US disclosed