Sugi Predict

Sugi Predict / Compounds / Heptane

Heptane

Heptane

SCHEMBL25329708

CCCCCCC.C[NH+](C)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 2/20 0.33
▸ DNM1 Q05193 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ NAAA Q02083 1/20 0.31

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
SCHEMBL116944 0.88 — —
SCHEMBL29396690 0.86 DNM1 (0.32) DNM1
SCHEMBL29396956 0.86 DNM1 (0.32) DNM1
SCHEMBL29397464 0.86 DNM1 (0.32) DNM1
SCHEMBL29396609 0.86 DNM1 (0.32) DNM1
SCHEMBL2694399 0.86 DNM1 (0.32) DNM1
SCHEMBL29394531 0.86 DNM1 (0.32) DNM1
SCHEMBL30973629 0.86 — —
SCHEMBL2135141 0.84 DNM1 (0.31) DNM1MEN1KMT2ATP53MAPK1
SCHEMBL22283325 0.84 DNM1 (0.31) DNM1MEN1KMT2ATP53MAPK1

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-20230235202-A1 PLASTICIZER FOR RESINS IDEMITSU KOSAN CO.,LTD. (JP) 2023-07-27 — — US disclosed