SCHEMBL9617692

SCHEMBL9617692

O=C(O)c1c(Oc2cccc3ccccc23)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.50
GLA P06280 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
MITF O75030 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ESRRA P11474 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
PGR P06401 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL3317320 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL914280 0.91 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL29138629 0.89 NR4A1 (0.54) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL30874084 0.87 WDR5 (0.51) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL9617691 0.81 MEN1 (0.51) ALDH1A1KDM4EHSD17B10MEN1KMT2A
Carbamic Acid SCHEMBL12079192 0.80 ALDH1A1 (0.58) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL7536268 0.80 NR4A1 (0.59) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL979842 0.79 CA12 (0.58) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL3135970 0.79 NR4A1 (0.63) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL4565436 0.79 HPGD (0.53) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5169978-A Polyester monomer SOCIETE ATOCHEM (FR) 1992-12-08 US claimed
JP-4300850-A None JP disclosed
JP-4057854-A None JP disclosed
US-5169978-A Polyester monomer SOCIETE ATOCHEM (FR) 1992-12-08 US disclosed
JP-H04300850-A NAPHTHYLOXYBENZOIC ACID AND NAPHTHYLOXYNAPHTHOIC ACID DERIVATIVES, AND THEIR SYNTHESIZING METHOD ELF ATOCHEM SA 1992-10-23 JP disclosed
JP-H0457854-A AZO PIGMENT COMPOSITION AND AQUEOUS PIGMENT DISPERSION PREPARED THEREFROM TOYO INK MFG CO LTD 1992-02-25 JP disclosed