SCHEMBL11477010

SCHEMBL11477010

C=CCC=C(c1ccccc1)N1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
OPRD1 P41143 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CYP2C9 P11712 1/20 0.36

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
SCHEMBL5776948 0.81 HPGD (0.46) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5776944 0.81 HPGD (0.46) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11482052 0.76 HPGD (0.52) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11482047 0.76 HPGD (0.52) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11475019 0.74 HPGD (0.55) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5776078 0.74 HPGD (0.60) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL10573027 0.74 HPGD (0.60) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL5776074 0.74 HPGD (0.60) HPGDALDH1A1USP2KMT2AMEN1
SCHEMBL5773229 0.74 HPGD (0.50) HPGDCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5773227 0.74 HPGD (0.50) HPGDCHRNB2CHRNB4CHRNA3CHRNA4

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-4198510-A INTERMEDIATES FOR AROMATIC-SUBSTITUTED CARBOXYLIC ACIDS SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1980-04-15 US disclosed