SCHEMBL8102878

SCHEMBL8102878

CNC(=O)C(=NOC)c1ccccc1COC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.40
CREBBP Q92793 2/20 0.38
EP300 Q09472 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A3 Q01959 2/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7972936 0.85 CREBBP (0.41) CREBBPEP300ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4322060 0.79 MEN1 (0.50) CREBBPEP300ALDH1A1MEN1KMT2A
SCHEMBL7452571 0.77 ICAM1 (0.44) CREBBPEP300ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7975649 0.76 MEN1 (0.44) CREBBPEP300ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8954773 0.75 DHFR (0.35) HIF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL8370615 0.75 DHFR (0.35) HIF1AALDH1A1KDM4EMEN1KMT2A
SCHEMBL6654536 0.74 TDP1 (0.39) ALDH1A1KDM4ESMN1; SMN2SLC6A3TDP1
SCHEMBL8463915 0.74 KDM4E (0.36) HIF1AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL8463919 0.74 KDM4E (0.36) HIF1AALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL6721998 0.73 HIF1A (0.46) HIF1AALDH1A1KDM4EHPGD

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
CN-1082046-C Process for producing 2- (2-hydroxymethylphenyl) acetamide derivative and intermediate for production thereof SHIONOGI & CO (JP) 2002-04-03 CN disclosed
US-6147231-A Process for producing 2(2-hydroxymethylphenyl)acetamide derivative and intermediate for the production thereof SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0801054-B1 PROCESS FOR PRODUCING 2-(2-HYDROXYMETHYLPHENYL)ACETAMIDE DERIVATIVE AND INTERMEDIATE FOR THE PRODUCTION THEREOF SHIONOGI & CO (JP) 2000-05-24 EP disclosed
US-5856573-A Process for producing 2-(2-hydroxymethylphenyl)acetamide derivative and intermediate for the production thereof SHIONOGI & CO., LTD (JP) 1999-01-05 US disclosed
CN-1175244-A Process for producing 2- (2-hydroxymethylphenyl) acetamide derivative and intermediate for production thereof SHIONOGI & CO (JP) 1998-03-04 CN disclosed
EP-0801054-A1 PROCESS FOR PRODUCING 2-(2-HYDROXYMETHYLPHENYL)ACETAMIDE DERIVATIVE AND INTERMEDIATE FOR THE PRODUCTION THEREOF SHIONOGI & CO., LTD. (JP) 1997-10-15 EP disclosed