SCHEMBL2484804

SCHEMBL2484804

CCNC1=CC(=O)c2c(OC)ccc(OC)c2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 12/20 0.50
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
S1PR4 O95977 1/20 0.44
HSP90AA1 P07900 1/20 0.44
G6PD P11413 1/20 0.44
S1PR1 P21453 1/20 0.44
OPRK1 P41145 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MCL1 Q07820 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TLR9 Q9NR96 1/20 0.44
ALDH1A1 P00352 3/20 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
SCHEMBL15732826 0.88 SOAT1 (0.51) SOAT1CDC25ACDC25BMAPTKDM4E
SCHEMBL15733049 0.85 SOAT1 (0.56) SOAT1CDC25ACDC25BMAPTKDM4E
SCHEMBL15733152 0.84 SOAT1 (0.56) SOAT1CDC25ACDC25BMAPTKDM4E
SCHEMBL358215 0.83 SOAT1 (0.57) SOAT1HTTMAPK1ALDH1A1APAF1
SCHEMBL368936 0.83 SOAT1 (0.57) SOAT1HTTMAPK1ALDH1A1APAF1
SCHEMBL15732916 0.83 SOAT1 (0.57) SOAT1HTTMAPK1ALDH1A1APAF1
SCHEMBL369253 0.83 SOAT1 (0.57) SOAT1HTTMAPK1ALDH1A1APAF1
SCHEMBL2485219 0.83 SOAT1 (0.57) SOAT1HTTMAPK1ALDH1A1APAF1
SCHEMBL359515 0.81 MAPT (0.48) SOAT1CDC25ACDC25BMAPTKDM4E
SCHEMBL23271821 0.75 SOAT1 (0.57) SOAT1CDC25ACDC25BMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3182129-B1 METHOD OF SCREENING A THERAPEUTIC AGENT FOR K-RAS MUTANT CANCER RAND BIO SCIENCE INC (KR) 2018-12-26 EP disclosed
EP-3182129-A1 CHEMICAL INHIBITOR OF P53-SNAIL BINDING AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER DISEASE CONTAINING SAME AS ITS ACTIVE INGREDIENT RAND Bio Science Inc. (KR) 2017-06-21 EP disclosed
US-9400281-B2 Method of screening of therapeutic agents for K-Ras mutant driven cancers PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2016-07-26 US disclosed
US-20140147866-A1 COMPOUND FOR INHIBITING SNAIL-P53 BINDING AND THERAPEUTIC AGENT FOR CANCER INCLUDING THE COMPOUND AS EFFECTIVE COMPONENT THE INDUSTRY & ACADEMIC COOPERATION IN CHUNGNAM NATIONAL UNIVERSITY (KR) 2014-05-29 US disclosed
EP-2377849-A2 CHEMICAL INHIBITOR OF P53-SNAIL BINDING AND PHARMACEUTICAL COMPOSITION FOR TREATING CANCER DISEASE CONTAINING SAME AS ITS ACTIVE INGREDIENT Pusan National University Industry-University Cooperation Foundation (KR) 2011-10-19 EP disclosed