SCHEMBL29388397

SCHEMBL29388397

O=C(O)c1cccc(CCO)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.54
PTPN1 P18031 2/20 0.50
HMGB1 P09429 1/20 0.47
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
BID P55957 4/20 0.42
MCL1 Q07820 4/20 0.42
BCL2L1 Q07817 3/20 0.42
BAK1 Q16611 3/20 0.42
KAT8 Q9H7Z6 2/20 0.42
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
EP300 Q09472 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
KAT5 Q92993 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
ACMSD Q8TDX5 1/20 0.41
CLCN2 P51788 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2549298 1.00 FOLH1 (0.54) FOLH1PTPN1HMGB1ALDH1A1ALOX15
Trimethylammonium SCHEMBL28137028 0.93 PTPN1 (0.50) FOLH1PTPN1HMGB1ALDH1A1ALOX15
Acrylic Acid SCHEMBL15191791 0.90 FOLH1 (0.47) FOLH1PTPN1HMGB1BIDMCL1
SCHEMBL22912 0.90 FOLH1 (0.59) FOLH1HMGB1ALDH1A1ALOX15BID
SCHEMBL5695801 0.89 FOLH1 (0.51) FOLH1HMGB1BIDMCL1BCL2L1
SCHEMBL28676529 0.87 FOLH1 (0.46) FOLH1PTPN1HMGB1ALDH1A1BID
SCHEMBL29076358 0.87 BID (0.50) FOLH1HMGB1ALOX15BIDMCL1
SCHEMBL5114102 0.86 FOLH1 (0.56) FOLH1HMGB1ALDH1A1ALOX15BID
SCHEMBL10885451 0.86 BID (0.56) FOLH1HMGB1ALOX15BIDMCL1
SCHEMBL11052053 0.86 BID (0.53) FOLH1ALOX15BIDMCL1BCL2L1

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
WO-2022034927-A1 AMMONIA PRODUCTION METHOD AND AMMONIA PRODUCTION APPARATUS 国立大学法人東京大学 2022-02-17 WO disclosed
WO-2022034928-A1 AMMONIA PRODUCTION METHOD AND AMMONIA PRODUCTION APPARATUS 日産化学株式会社 2022-02-17 WO disclosed