SCHEMBL8424974

SCHEMBL8424974

COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)O)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 6/20 0.60
LMNA P02545 3/20 0.60
THRB P10828 1/20 0.60
APP P05067 1/20 0.52
KMT2A Q03164 6/20 0.52
MEN1 O00255 3/20 0.52
NR1I2 O75469 1/20 0.52
POLB P06746 1/20 0.52
AHR P35869 1/20 0.52
ALDH1A1 P00352 4/20 0.50
KDM1A O60341 1/20 0.50
HPGD P15428 3/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL8424980 1.00 KDM4E (0.61) KDM4EGAAMAPTLMNATHRB
SCHEMBL8424978 1.00 KDM4E (0.61) KDM4EGAAMAPTLMNATHRB
SCHEMBL10465349 0.90 KDM4E (0.64) KDM4EGAAMAPTLMNATHRB
SCHEMBL10464274 0.90 KDM4E (0.64) KDM4EGAAMAPTLMNATHRB
SCHEMBL10464276 0.90 KDM4E (0.64) KDM4EGAAMAPTLMNATHRB
SCHEMBL11312156 0.84 MAPT (0.61) KDM4EGAAMAPTLMNATHRB
SCHEMBL10741104 0.84 MAPT (0.61) KDM4EGAAMAPTLMNATHRB
SCHEMBL10741098 0.84 MAPT (0.61) KDM4EGAAMAPTLMNATHRB
Acetic Acid SCHEMBL10426738 0.83 MAPT (0.59) KDM4EGAAMAPTLMNATHRB
SCHEMBL7822895 0.82 KDM4E (0.56) KDM4EMAPTAPPKMT2AMEN1

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-5990318-A Soluble polyester-supported chiral phosphines THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 1999-11-23 US claimed
US-5990318-A Soluble polyester-supported chiral phosphines THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 1999-11-23 US disclosed
US-4294989-A OPTICALLY ACTIVE HYDROGENATION CATALYSTS MONSANTO COMPANY (US) 1981-10-13 US disclosed
US-4265827-A METHYLCYCOHEXYL-O-ANISYLARSINE OPTICALLY ACTIVE CATALYST MONSANTO COMPANY (US) 1981-05-05 US disclosed
US-4261919-A OF BETA-SUBSTITUTED-ALPHA-ACYLAMIDO-ACRYLIC ACIDS TO YIELD OPTICALLY ACTIVE MIXTURE MONSANTO COMPANY (US) 1981-04-14 US disclosed
US-4124533-A HYDROGENATION CATALYSTS MONSANTO COMPANY (US) 1978-11-07 US disclosed