SCHEMBL9650520

SCHEMBL9650520

CCOc1ccc(C(=O)Oc2ccc(/C=C/c3ccncc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.60
CDK8 P49336 1/20 0.60
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 4/20 0.58
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 5/20 0.58
NPC1 O15118 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
HSD17B10 Q99714 1/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL9648908 0.90 LMNA (0.74) KDM4EMAPTKMT2ALMNANPC1
SCHEMBL9650560 0.86 LMNA (0.79) KDM4EMAPTKMT2ALMNANPC1
SCHEMBL9650072 0.85 CYP1A2 (0.74) KDM4EMAPTKMT2ALMNANPC1
SCHEMBL22009357 0.84 RELA (0.67) KDM4EMAPTKMT2ANPSR1LMNA
SCHEMBL2455357 0.82 KMT2A (0.73) CCNCCDK8MAPTKMT2ANPSR1
SCHEMBL9905987 0.82 KMT2A (0.73) CCNCCDK8MAPTKMT2ANPSR1
SCHEMBL13937930 0.79 POLB (0.59) KDM4EMAPTKMT2ALMNANPC1
SCHEMBL13937931 0.79 POLB (0.59) KDM4EMAPTKMT2ALMNANPC1
Hydrochloric Acid SCHEMBL6706547 0.79 SNCA (0.67) KDM4EMAPTKMT2ALMNACYP1A2
Hydrochloric Acid SCHEMBL6706549 0.79 SNCA (0.67) KDM4EMAPTKMT2ALMNACYP1A2

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
US-5139696-A Hydrogen-bonded liquid crystal complexes CORNELL RESEARCH FOUNDATION, INC. (US) 1992-08-18 US disclosed
US-5037574-A Hydrogen-bonded liquid crystal complexes CORNELL RESEARCH FOUNDATION, INC. (US) 1991-08-06 US disclosed