SCHEMBL11670393

SCHEMBL11670393

CCC(CN(CC)c1ccccc1)OC(=O)Oc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ BCHE P06276 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11671695 0.93 KMT2A (0.43) KMT2AKDM4EGHSRTSHRGAA
SCHEMBL11670540 0.88 TDP1 (0.40) KMT2AKDM4ETSHRMEN1MAPT
SCHEMBL11671514 0.88 MAPT (0.43) KMT2AOPRM1FAAHBCHEACHE
SCHEMBL11671783 0.87 KMT2A (0.43) KMT2ATSHRMEN1GAAMAPT
SCHEMBL11676747 0.85 SLC6A4 (0.42) KMT2AKDM4EGHSRMAPT
SCHEMBL11698804 0.84 KMT2A (0.38) KMT2AKDM4ETSHRMEN1GAA
SCHEMBL11670664 0.83 ALDH1A1 (0.40) KMT2AKDM4ETSHRMEN1GAA
SCHEMBL11671349 0.83 MTNR1A (0.46) KMT2AMAPTHTTSMN1; SMN2
SCHEMBL11670194 0.83 KMT2A (0.39) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL11670864 0.83 KMT2A (0.36) KMT2ATSHRMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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