Heptane

Heptane

SCHEMBL28244261

CCCCCCC.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
DNM1 Q05193 2/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 2/20 0.41
KCNH2 Q12809 1/20 0.41
NAAA Q02083 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
Pentadecane SCHEMBL27707032 1.00 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
SCHEMBL27372739 1.00 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Undecane SCHEMBL28327061 1.00 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Heptane SCHEMBL27734164 1.00 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Decane SCHEMBL27371611 1.00 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Tetradecane SCHEMBL27451965 1.00 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Tridecane SCHEMBL27393394 1.00 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Dodecane SCHEMBL27373256 1.00 CYP3A4 (0.60) CYP3A4TDP1CES2CES1ESR1
Octane SCHEMBL28884351 0.98 CYP3A4 (0.57) CYP3A4TDP1CES2CES1ESR1
Tridecane SCHEMBL3897126 0.98 CYP3A4 (0.57) CYP3A4TDP1CES2CES1ESR1

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
CN-109952536-A The method for platemaking of radiation sensitive composition, original edition of lithographic printing plate and lithographic printing plate 富士胶片株式会社 2019-06-28 CN disclosed
CN-106170396-B Method for processing original plate of on-press development type lithographic printing plate and printing method 富士胶片株式会社 2018-10-09 CN disclosed