SCHEMBL10595693

SCHEMBL10595693

CCCN(CCC)C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.61
TSHR P16473 2/20 0.61
NPSR1 Q6W5P4 3/20 0.57
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA9 Q16790 2/20 0.55
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.50
CA2 P00918 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CCR1 P32246 1/20 0.50
PTBP1 P26599 1/20 0.48

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
SCHEMBL9435552 0.87 GAA (0.56) GAATSHRNPSR1CA12CA1
SCHEMBL9435704 0.86 GAA (0.68) GAATSHRNPSR1PKMRAB9A
SCHEMBL10596118 0.82 ALDH1A1 (0.61) NPSR1CA12CA1CA9MAPT
Hydrochloric Acid SCHEMBL30969288 0.80 CA12 (0.50) CA12CA1CA9PKMRAB9A
SCHEMBL30969291 0.80 SMN1; SMN2 (0.55) CA12CA1CA9RAB9AMEN1
SCHEMBL11109673 0.80 HPGD (0.56) TSHRNPSR1CA12CA1CA9
SCHEMBL9725009 0.79 TSHR (0.60) GAATSHRCA12CA1CA9
SCHEMBL10791694 0.79 GAA (0.60) GAATSHRNPSR1PKMRAB9A
SCHEMBL30969214 0.79 NPC1 (0.60) GAARAB9ALMNAMAPTHTT
SCHEMBL4548052 0.79 MEN1 (0.61) GAATSHRNPSR1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0127181-B1 RESIN COMPOSITION MITSUBISHI RAYON CO., LTD. (JP) 1989-09-27 EP disclosed
US-4568719-A CONTAINING UNSATURATED POLYESTERS, POLYEPOXIDES WITH UNSATURATED ACID, OR DIALLYL PHTHALATE COPOLYMERIZED WITH UNSATURATED MONOMER MITSUBISHI RAYON CO., LTD. (JP) 1986-02-04 US disclosed
EP-0127181-A2 Resin composition MITSUBISHI RAYON CO., LTD. (JP) 1984-12-05 EP disclosed