SCHEMBL4949449

SCHEMBL4949449

O=C(O)[C@@H](N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
DUSP3 P51452 1/20 0.37
ALDH1A1 P00352 2/20 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
P2RX7 Q99572 2/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 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
SCHEMBL4949457 1.00 KMT2A (0.40) KMT2ADUSP3ALDH1A1POLBTHRB
SCHEMBL30537730 0.86 KMT2A (0.33) KMT2ADUSP3ALDH1A1POLBTHRB
SCHEMBL4946433 0.77 ALDH1A1 (0.43) KMT2AALDH1A1POLBHTTNPSR1
SCHEMBL4951450 0.77 ALDH1A1 (0.43) KMT2AALDH1A1POLBHTTNPSR1
SCHEMBL4946845 0.77 KMT2A (0.34) KMT2ADUSP3ALDH1A1POLBTHRB
SCHEMBL31756476 0.75 ALDH1A1 (0.42) KMT2AALDH1A1POLBHTTNPSR1
SCHEMBL4946860 0.71 MEN1 (0.43) KMT2ADUSP3ALDH1A1POLBTHRB
SCHEMBL14136349 0.65 DPP4 (0.48) ALDH1A1POLB
SCHEMBL14648462 0.65 DPP4 (0.48) ALDH1A1POLB
SCHEMBL14648459 0.64 EPHX2 (0.41) KMT2AALDH1A1POLBTHRBHTT

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