SCHEMBL8510046

SCHEMBL8510046

CCCCOC(=O)CCn1cc(Cl)c(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 1/20 0.39
MAPT P10636 2/20 0.38
RECQL P46063 2/20 0.38
LMNA P02545 2/20 0.38
EPHX2 P34913 1/20 0.38

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
SCHEMBL8508665 0.77 PDE4B (0.49) ALDH1A1MAPK1GAAPDE4BPDE4D
SCHEMBL8510644 0.74 ALDH1A1 (0.41) CNR1ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL19236918 0.72 MEN1 (0.46) CNR1ALDH1A1GAAL3MBTL1TDP1
SCHEMBL21995202 0.71 THRB (0.46) ALDH1A1MAPK1GAAL3MBTL1MAPT
SCHEMBL23880027 0.69 GAA (0.52) CNR1ALDH1A1MAPK1GAAL3MBTL1
SCHEMBL40344 0.68 CYP3A4 (0.45) ALDH1A1MAPK1GAAL3MBTL1CYP2C9
SCHEMBL45904 0.68 ALDH1A1 (0.58) ALDH1A1MAPK1GAAL3MBTL1RAB9A
SCHEMBL27333831 0.67 DGKA (0.68) CNR1ALDH1A1MAPK1HPGDMAPT
SCHEMBL5166306 0.67 MAPK1 (0.58) ALDH1A1MAPK1GAAL3MBTL1CYP1A2
Dibutylsuccinate SCHEMBL3977806 0.67 DGKA (0.67) ALDH1A1MAPK1L3MBTL1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972064-A USEFUL FOR FERTILIZER COMPOSITIONS BASF AKTIENGESELLSCHAFT (DE) 1999-10-26 US disclosed