SCHEMBL9968683

SCHEMBL9968683

CCC[C@H](COc1ccc(N2C(=O)c3ccccc3C2=O)cc1)NC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 4/20 0.47
▸ NR1H3 Q13133 2/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ PLA2G1B P04054 1/20 0.43
▸ ATG4B Q9Y4P1 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NR1H2 P55055 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
SCHEMBL10584174 0.77 KDM4E (0.59) KMT2AKDM4EALDH1A1MEN1NR1H3
SCHEMBL11862277 0.76 KDM4E (0.74) KMT2AKDM4EALDH1A1MEN1NR1H3
SCHEMBL4726090 0.73 KMT2A (0.61) KMT2AKDM4EALDH1A1MEN1NR1H3
SCHEMBL2550387 0.68 NR1H3 (0.81) KMT2AKDM4EALDH1A1MEN1NR1H3
SCHEMBL31050182 0.68 KMT2A (0.64) KMT2AKDM4EALDH1A1MEN1NR1H3
SCHEMBL3408445 0.68 KMT2A (0.66) KMT2AKDM4EALDH1A1MEN1NR1H3
SCHEMBL4649471 0.67 KMT2A (0.78) KMT2AALDH1A1MEN1NR1H3GAA
SCHEMBL18874610 0.67 KMT2A (0.56) KMT2AKDM4EALDH1A1MEN1NR1H3
SCHEMBL25918284 0.67 NR1H3 (0.64) KMT2AKDM4EALDH1A1MEN1NR1H3
SCHEMBL27264218 0.67 KMT2A (0.53) KMT2AKDM4EALDH1A1MEN1NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963276-B1 N-LINKED ARYL HETEROARYL INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2012-06-20 — — EP disclosed
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