SCHEMBL998675

SCHEMBL998675

COC(=O)CCc1[c]cccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HTT P42858 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 3/20 0.44
RPS6KB2 Q9UBS0 1/20 0.42
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
AKT1 P31749 1/20 0.40

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
SCHEMBL663796 0.90 ALDH1A1 (0.45) ALDH1A1LMNAHSD17B10HTTMAPT
SCHEMBL11285611 0.83 CYP4F2 (0.54) ALDH1A1LMNAHSD17B10MAPTKDM4E
SCHEMBL11276130 0.83 KMT2A (0.52) ALDH1A1LMNAHSD17B10HTTMAPT
SCHEMBL1443509 0.82 CYP4F2 (0.41) ALDH1A1LMNAHSD17B10MAPTKMT2A
SCHEMBL11285006 0.81 KMT2A (0.48) ALDH1A1LMNAHSD17B10HTTMAPT
SCHEMBL11409719 0.79 CYP4F2 (0.49) ALDH1A1LMNAHSD17B10MAPTKDM4E
SCHEMBL1510129 0.78 KEAP1 (0.52) ALDH1A1HSD17B10HTTMAPTSMN1; SMN2
SCHEMBL11286166 0.78 ALDH1A1 (0.51) ALDH1A1LMNAMAPTKMT2APOLB
SCHEMBL11416340 0.77 SMN1; SMN2 (0.41) LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL7221306 0.75 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108203440-B Solvent-free double-screw extrusion continuous synthesis process of potassium aryl trifluoroborate 华东师范大学 2020-08-25 CN claimed
WO-2013062138-A1 COMPOSITION AND METHOD FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 WO disclosed
EP-2456435-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE The Board of Trustees of The Leland Stanford Junior University (US) 2012-05-30 EP disclosed
WO-2011011514-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-27 WO disclosed
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
US-4101506-A PIPERIDINE COMPOUNDS, STABILIZERS FOR POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-18 US disclosed