SCHEMBL7739428

SCHEMBL7739428

[CH]1CCCCCCCC(Cc2cccc3cc4ccccc4cc23)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
PPM1D O15297 1/20 0.39
EPHX1 P07099 1/20 0.35
BCHE P06276 1/20 0.34
MTNR1A P48039 1/20 0.34
CYP2D6 P10635 1/20 0.34
NPC1 O15118 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAB9A P51151 2/20 0.33
ACP3 P15309 1/20 0.33
EED O75530 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL7732758 0.79 ATM (0.35) ATMPPM1DEPHX1MTNR1ACYP2D6
SCHEMBL7732901 0.74 CYP1B1 (0.32) EPHX1MTNR1AALDH1A1
SCHEMBL3247871 0.72 ATM (0.58) ATMEPHX1BCHECYP2D6NPSR1
SCHEMBL6167975 0.71 GBA1 (0.47)
SCHEMBL28926014 0.70 CYP2D6 (0.58) ATMEPHX1BCHECYP2D6NPSR1
SCHEMBL30449895 0.69 ATM (0.43) ATMPPM1DBCHECYP2D6NPSR1
SCHEMBL635738 0.68 ATM (0.37) ATMPPM1DBCHEMTNR1ACYP2D6
SCHEMBL9858830 0.66 ALDH1A1 (0.44) MTNR1AALDH1A1
SCHEMBL7654078 0.65 GBA1 (0.48)
SCHEMBL7733302 0.65 KDM4E (0.33) EPHX1NPC1ALDH1A1

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-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 US disclosed