SCHEMBL7975645

SCHEMBL7975645

CC=C(C(=O)OCC)N1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
HPGD P15428 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL7962153 0.98 MAPT (0.41) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL11552403 0.86 ALDH1A1 (0.40) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL11549097 0.84 HPGD (0.39) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL28175738 0.79 ALDH1A1 (0.39) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1819086 0.79 MAPT (0.61) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL6331933 0.76 MAPT (0.62) ALDH1A1HPGDL3MBTL1NPC1RAB9A
SCHEMBL8710504 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL11402027 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL21138457 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL11488922 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1TSHRMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6281295-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.R.L. (IT) 2001-08-28 US claimed
US-6281295-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.R.L. (IT) 2001-08-28 US disclosed
EP-0735083-B1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL EUROP (CH) 2000-02-09 EP disclosed
EP-0735083-A1 Enamines as vulcanization accelerators for natural or synthetic rubbers GREAT LAKES CHEMICAL ITALIA S.r.l. (IT) 1996-10-02 EP disclosed