SCHEMBL11670591

SCHEMBL11670591

CCC(CN(CC)c1ccccc1)OC(=O)Oc1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NOX1 Q9Y5S8 1/20 0.35
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ TSHR P16473 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL11671552 0.88 MEN1 (0.35) KDM4EALDH1A1MEN1NPC1RAB9A
SCHEMBL11672284 0.87 TP53 (0.39) TDP1PPARGALDH1A1HTTMEN1
SCHEMBL11671183 0.86 DRD2 (0.40) KDM4ENPY1RNPY2RTSHRCNR2
SCHEMBL11671394 0.86 KMT2A (0.39) L3MBTL1KDM4EMEN1NPC1RAB9A
SCHEMBL11670740 0.86 SCN1A (0.40) TDP1L3MBTL1KDM4EALDH1A1HTT
SCHEMBL11670723 0.86 ALDH1A1 (0.42) TDP1KDM4EALDH1A1HTTMEN1
SCHEMBL11670540 0.85 TDP1 (0.40) TDP1ATML3MBTL1KDM4EALDH1A1
SCHEMBL11671807 0.83 MAPT (0.40) L3MBTL1ALDH1A1HTTMEN1NPC1
SCHEMBL11670644 0.82 FABP7 (0.39) PPARGALDH1A1HTTMEN1NPC1
SCHEMBL11670864 0.82 KMT2A (0.36) ALDH1A1MEN1NPC1RAB9AKMT2A

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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