SCHEMBL28629532

SCHEMBL28629532

O=C(Nc1cc(Cl)cc(-c2cccc(C(=O)O)c2)c1OCc1ccccc1)Nc1cc(Cl)cc(-c2cccc(C(=O)O)c2)c1OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 12/20 0.59
CYP2C9 P11712 3/20 0.59
CYP3A4 P08684 1/20 0.52
TBXA2R P21731 1/20 0.51
MRGPRX4 Q96LA9 3/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
PPIA P62937 1/20 0.47
NR4A2 P43354 2/20 0.47

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
SCHEMBL28628175 0.77 THRA (0.54) MEN1KMT2APPIA
SCHEMBL5099680 0.74 PTGER1 (1.00) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL30008028 0.73 PTGER1 (0.65) PTGER1CYP2C9CYP3A4MRGPRX4MEN1
SCHEMBL5157932 0.72 PTGER1 (0.69) PTGER1CYP2C9CYP3A4TBXA2RMRGPRX4
SCHEMBL28619006 0.72 MRGPRX4 (0.52) PTGER1CYP2C9MRGPRX4MEN1NPC1
SCHEMBL5933532 0.72 PTGER1 (0.76) PTGER1CYP2C9CYP3A4TBXA2RMEN1
SCHEMBL5109876 0.71 PTGER1 (0.93) PTGER1CYP2C9CYP3A4TBXA2R
SCHEMBL7741613 0.71 RXRA (0.51) PTGER1CYP2C9NR1H4
SCHEMBL5096132 0.70 PTGER1 (1.00) PTGER1CYP2C9CYP3A4MRGPRX4
SCHEMBL16207603 0.70 PTGER1 (0.60) PTGER1CYP2C9CYP3A4MRGPRX4MEN1

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
CN-109704982-B Preparation method of eltrombopag intermediate 2-hydroxy-3- (m-carboxyphenyl) aniline 上海天慈国际药业有限公司 2021-09-07 CN disclosed