SCHEMBL4643451

SCHEMBL4643451

O=C(O)c1ccc(CC(c2ccc(C(=O)O)cc2)(c2ccc(C(=O)O)cc2)c2ccc(C(=O)O)cc2)cc1.[KH].[KH].[KH].[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 5/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47
▸ NR4A2 P43354 1/20 0.46
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ APOBEC3A P31941 1/20 0.46

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
SCHEMBL1598468 0.98 ALDH1A1 (0.52) SRD5A2ALDH1A1TP53TSHREPHX2
SCHEMBL4642781 0.96 SRD5A2 (0.50) SRD5A2ALDH1A1TP53TSHREPHX2
Potassium Ion SCHEMBL4643453 0.78 CA2 (0.52) EPHX2MAPTTHRB
SCHEMBL7546320 0.78 ESR1 (0.60) SRD5A2ALDH1A1TP53TSHREPHX2
SCHEMBL1505324 0.75 ALDH1A1 (0.59) SRD5A2ALDH1A1TP53TSHRNR4A2
SCHEMBL4679096 0.75 THRB (0.61) SRD5A2ALDH1A1TP53TSHREPHX2
SCHEMBL22522161 0.74 SRD5A2 (0.62) SRD5A2ALDH1A1EPHX2NR1H4NR4A2
SCHEMBL12491968 0.73 ALDH1A1 (0.57) SRD5A2ALDH1A1TP53TSHREPHX2
Terephthalic Acid SCHEMBL2230974 0.72 TSHR (0.92) SRD5A2ALDH1A1TP53TSHRSMN1; SMN2
Terephthalic Acid SCHEMBL107910 0.72 TSHR (0.92) SRD5A2ALDH1A1TP53TSHRSMN1; SMN2

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-1120391-B1 MOLECULAR COMPOUNDS CONTAINING NOVEL CARBOXYLIC ACID DERIVATIVES AS THE CONSTITUENT COMPOUND NIPPON SODA CO (JP) 2008-08-06 — — EP disclosed
US-6566548-B1 Alkylene- or phenylene- tetrabenzoic acids and derivatives NIPPON SODA CO., LTD. (JP) 2003-05-20 — — US disclosed
EP-1120391-A1 MOLECULAR COMPOUNDS CONTAINING NOVEL CARBOXYLIC ACID DERIVATIVES AS THE CONSTITUENT COMPOUND NIPPON SODA CO., LTD. (JP) 2001-08-01 — — EP disclosed
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