SCHEMBL9639864

SCHEMBL9639864

COc1ccc(-c2c(-c3ccccc3)c(C(=O)O)c(C(=O)O)c(-c3ccccc3)c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
POLB P06746 1/20 0.50
BACE1 P56817 4/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 1/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 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
SCHEMBL351262 0.84 LMNA (0.48) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL21667786 0.84 CA4 (0.62) KDM4EALDH1A1CA1CA2BACE1
SCHEMBL6320332 0.83 ALDH1A1 (0.56) KDM4EALDH1A1HPGDCES2CES1
SCHEMBL21667800 0.82 CA4 (0.59) KDM4EALDH1A1CA1CA2BACE1
SCHEMBL21667799 0.82 CA4 (0.59) KDM4EALDH1A1CA1CA2BACE1
SCHEMBL16672197 0.82 CA4 (0.59) KDM4EALDH1A1CA1CA2BACE1
Bicarbonate SCHEMBL28112150 0.81 CES2 (0.61) KDM4EALDH1A1CES2CES1CA1
SCHEMBL10405305 0.80 LMNA (0.48) KDM4EALDH1A1HPGDCA1CA2
SCHEMBL3668412 0.79 ALDH1A1 (0.55) GFERKDM4EALDH1A1HPGDPOLB
SCHEMBL29094128 0.78 CDC25B (0.50) ALDH1A1HPGDPOLBMEN1GAA

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
US-5175242-A PHENYLATED POLYIMIDES PREPARED FROM 3,6-DIARYLPYROMELLITIC DIANHYDRIDE AND AROMATIC DIAMINES THE UNIVERSITY OF AKRON (US) 1992-12-29 US disclosed
EP-0499603-A1 PHENYLATED POLYIMIDES PREPARED FROM 3,6-DIARYLPYROMELLITIC DIANHYDRIDE AND AROMATIC DIAMINES THE UNIVERSITY OF AKRON (US) 1992-08-26 EP disclosed
WO-1990010025-A1 PHENYLATED POLYIMIDES PREPARED FROM 3,6-DIARYLPYROMELLITIC DIANHYDRIDE AND AROMATIC DIAMINES THE UNIVERSITY OF AKRON (US) 1990-09-07 WO disclosed