SCHEMBL11671514

SCHEMBL11671514

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 2/20 0.42
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ PPARG P37231 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ BCHE P06276 3/20 0.37
▸ ACHE P22303 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 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
SCHEMBL11670194 0.93 KMT2A (0.39) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL11670864 0.91 KMT2A (0.36) MAPTKMT2AALDH1A1MEN1
SCHEMBL11670540 0.89 TDP1 (0.40) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL11670393 0.88 KMT2A (0.43) MAPTKMT2AMEN1SMN1; SMN2OPRM1
SCHEMBL11671807 0.87 MAPT (0.40) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL11676749 0.84 MAPT (0.43) MAPTLMNAOPRM1OPRD1ACHE
SCHEMBL11671349 0.84 MTNR1A (0.46) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL11671695 0.83 KMT2A (0.43) MAPTKMT2AALDH1A1
SCHEMBL11698804 0.83 KMT2A (0.38) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL11672528 0.82 CNR1 (0.41) LMNAKMT2AALDH1A1MEN1SMN1; SMN2

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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