SCHEMBL4946845

SCHEMBL4946845

O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1[C@H](CO)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
HTT P42858 1/20 0.33
MDM2 Q00987 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
DUSP3 P51452 1/20 0.31
P2RX7 Q99572 1/20 0.30

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
SCHEMBL4951371 0.77 MEN1 (0.40) KMT2AALDH1A1POLBHTTNPSR1
SCHEMBL4949449 0.77 KMT2A (0.40) KMT2AALDH1A1POLBTHRBOPRD1
SCHEMBL4949457 0.77 KMT2A (0.40) KMT2AALDH1A1POLBTHRBOPRD1
SCHEMBL30537730 0.74 KMT2A (0.33) KMT2AALDH1A1POLBTHRBOPRD1
SCHEMBL4946860 0.73 MEN1 (0.43) KMT2AALDH1A1POLBTHRBOPRD1
SCHEMBL4137129 0.59 KMT2A (0.44) KMT2AALDH1A1MEN1CYP2D6CYP2C19
SCHEMBL11004743 0.58 KMT2A (0.41) KMT2AALDH1A1DUSP3
SCHEMBL1813993 0.57 KMT2A (0.40) KMT2AALDH1A1DUSP3
SCHEMBL3813603 0.57 KMT2A (0.48) KMT2AALDH1A1SMN1; SMN2MEN1CYP2D6
SCHEMBL28854193 0.57 CA1 (0.37) KMT2ADUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed
US-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed