SCHEMBL8540405

SCHEMBL8540405

N[C@@H](Cc1cc(O)ccc1O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
USP2 O75604 3/20 0.66
ALOX15 P16050 3/20 0.66
HSD17B10 Q99714 3/20 0.66
LMNA P02545 3/20 0.66
MAPT P10636 3/20 0.66
BLM P54132 3/20 0.66
PMP22 Q01453 3/20 0.66
KMT2A Q03164 3/20 0.66
HIF1A Q16665 3/20 0.66
CYP3A4 P08684 2/20 0.66
NFKB1 P19838 2/20 0.66
ALDH1A1 P00352 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
RECQL P46063 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
PKM P14618 2/20 0.66
MEN1 O00255 2/20 0.66
RGS12 O14924 1/20 0.66
CYP2C9 P11712 1/20 0.66

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
SCHEMBL5286425 1.00 KDM4E (0.66) KDM4EUSP2ALOX15HSD17B10LMNA
Water SCHEMBL11769068 0.98 KDM4E (0.64) KDM4EUSP2ALOX15HSD17B10LMNA
Water SCHEMBL11769062 0.98 KDM4E (0.64) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL2679928 0.86 KDM4E (0.66) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL4140820 0.86 KDM4E (0.66) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL17774756 0.84 KDM4E (0.64) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL17979624 0.83 KDM4E (0.78) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL491072 0.83 EGFR (0.47) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL19501942 0.83 ALOX15 (0.57) KDM4EUSP2ALOX15HSD17B10LMNA
SCHEMBL5324787 0.83 KDM4E (0.55) KDM4EUSP2ALOX15HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3976782-A 3-(2,5-Dihydroxyphenyl)-alanine as a cardiac stimulant MERCK & CO., INC. (US) 1976-08-24 US claimed
EP-0668874-B1 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AG (DE) 1998-08-26 EP disclosed
EP-0668874-A1 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-08-30 EP disclosed
WO-1992020711-A2 LHRH ANTAGONISTS AND INTERMEDIATE PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-11-26 WO disclosed
US-3976782-A 3-(2,5-Dihydroxyphenyl)-alanine as a cardiac stimulant MERCK & CO., INC. (US) 1976-08-24 US disclosed
US-3976782-A 3-(2,5-Dihydroxyphenyl)-alanine as a cardiac stimulant MERCK & CO., INC. (US) 1976-08-24 US disclosed
US-3976782-A 3-(2,5-Dihydroxyphenyl)-alanine as a cardiac stimulant MERCK & CO., INC. (US) 1976-08-24 US disclosed