SCHEMBL11670644

SCHEMBL11670644

CCC(CN(CC)c1ccccc1)OC(=O)Oc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FABP7 O15540 1/20 0.39
▸ FABP3 P05413 1/20 0.39
▸ FABP5 Q01469 1/20 0.39
▸ TP53 P04637 1/20 0.37
▸ KMT2A Q03164 5/20 0.36
▸ PPARG P37231 1/20 0.36
▸ MEN1 O00255 4/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ RORC P51449 1/20 0.33

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
SCHEMBL11670466 0.89 TSHR (0.45) KMT2AMEN1SMN1; SMN2MAPTTSHR
SCHEMBL11670664 0.89 ALDH1A1 (0.40) KMT2APPARGMEN1SMN1; SMN2MAPT
SCHEMBL11672284 0.88 TP53 (0.39) TP53KMT2APPARGMEN1SMN1; SMN2
SCHEMBL11670591 0.82 TDP1 (0.37) TP53KMT2APPARGMEN1SMN1; SMN2
SCHEMBL11671552 0.82 MEN1 (0.35) KMT2AMEN1TSHRALDH1A1NPC1
SCHEMBL11677173 0.82 TSHR (0.37) FABP7FABP3FABP5TP53KMT2A
SCHEMBL11670540 0.82 TDP1 (0.40) KMT2AMEN1SMN1; SMN2MAPTTSHR
SCHEMBL11671783 0.81 KMT2A (0.43) KMT2APPARGMEN1SMN1; SMN2MAPT
SCHEMBL11670393 0.81 KMT2A (0.43) KMT2AMEN1SMN1; SMN2MAPTTSHR
SCHEMBL11698804 0.81 KMT2A (0.38) KMT2AMEN1SMN1; SMN2MAPTTSHR

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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