SCHEMBL11671807

SCHEMBL11671807

CCC(CN(CC)c1ccccc1)OC(=O)Oc1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ CNR2 P34972 3/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NOX1 Q9Y5S8 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL11670540 0.92 TDP1 (0.40) MAPTTSHRMAPK1ALDH1A1CNR2
SCHEMBL11671481 0.90 MAPT (0.41) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL11672528 0.90 CNR1 (0.41) HTTALDH1A1CNR2TRPM8MEN1
SCHEMBL11670864 0.89 KMT2A (0.36) MAPTTSHRALDH1A1CNR2MEN1
SCHEMBL11671437 0.89 RAB9A (0.46) TSHRALDH1A1CNR2MEN1KMT2A
SCHEMBL11671783 0.89 KMT2A (0.43) MAPTTSHRHTTALDH1A1CNR2
Benzene SCHEMBL11703966 0.88 CNR2 (0.40) MAPTTSHRALDH1A1CNR2NPC1
SCHEMBL11672710 0.88 MEN1 (0.40) TSHRHTTCNR2MEN1KMT2A
SCHEMBL11670194 0.87 KMT2A (0.39) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL11671514 0.87 MAPT (0.43) MAPTMAPK1HTTALDH1A1MEN1

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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