SCHEMBL4596619

SCHEMBL4596619

CC(C)(Cn1ccc2ccccc21)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
CDK4 P11802 4/20 0.50
CCND1 P24385 4/20 0.50
MAPK1 P28482 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
NTSR1 P30989 1/20 0.45
NOTUM Q6P988 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
RAD52 P43351 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43

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
SCHEMBL18405592 0.80 CDK4 (0.57) KMT2ACDK4CCND1MAPK1LMNA
SCHEMBL418336 0.79 CDK4 (0.61) KMT2ACDK4CCND1MAPK1LMNA
SCHEMBL13157277 0.76 CDK4 (0.57) KMT2ACDK4CCND1MAPK1LMNA
SCHEMBL20427954 0.76 AR (0.62) KMT2AMAPK1LMNAKDM4EMEN1
SCHEMBL18965027 0.76 AR (0.62) KMT2AMAPK1LMNAKDM4EMEN1
SCHEMBL27547508 0.75 CDK4 (0.65) KMT2ACDK4CCND1MAPK1LMNA
SCHEMBL29420405 0.74 KMT2A (1.00) KMT2ACDK4CCND1MAPK1LMNA
SCHEMBL1598786 0.74 KMT2A (1.00) KMT2ACDK4CCND1MAPK1LMNA
SCHEMBL24109782 0.73 HTR2A (0.56) KMT2ACDK4CCND1MAPK1LMNA
SCHEMBL10165541 0.73 LMNA (0.65) KMT2ACDK4CCND1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874723-A2 NEW NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF Dominion Pharmakine S.L. (ES) 2008-01-09 EP claimed
WO-2006108864-A2 NEW NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF DOMINION PHARMAKINE S.L. (ES) 2006-10-19 WO claimed
EP-1874723-A2 NEW NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF Dominion Pharmakine S.L. (ES) 2008-01-09 EP disclosed
WO-2006108864-A2 NEW NITROGENATED TRANS-STILBENE ANALOGS, METHOD FOR THE OBTENTION AND MEDICAL APPLICATIONS THEREOF DOMINION PHARMAKINE S.L. (ES) 2006-10-19 WO disclosed