Heptane

Heptane

SCHEMBL27465909

CCCC(Br)Br.CCCCCCC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.50
DNM1 Q05193 4/20 0.48
LCK P06239 1/20 0.46
PPARD Q03181 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.46
ZDHHC2 Q9UIJ5 1/20 0.46
LMNA P02545 3/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL876183 0.88 LCK (0.52) TSHRTHRBDNM1LCKPPARD
SCHEMBL688371 0.88 LCK (0.52) TSHRTHRBDNM1LCKPPARD
SCHEMBL798452 0.88 LCK (0.52) TSHRTHRBDNM1LCKPPARD
SCHEMBL8971174 0.88 LCK (0.52) TSHRTHRBDNM1LCKPPARD
SCHEMBL632849 0.88
SCHEMBL687164 0.88 LCK (0.52) TSHRTHRBDNM1LCKPPARD
SCHEMBL3417690 0.88 LCK (0.52) TSHRTHRBDNM1LCKPPARD
SCHEMBL8397872 0.88 LCK (0.52) TSHRTHRBDNM1LCKPPARD
SCHEMBL20952537 0.88 LCK (0.52) TSHRTHRBDNM1LCKPPARD
SCHEMBL8971411 0.88 LCK (0.52) TSHRTHRBDNM1LCKPPARD

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-1168529-C Nanofiltration compound film and its making method 杜润红 2004-09-29 CN disclosed
CN-1404906-A Nanofiltration compound film and its making method RUNHONG DU (CN) 2003-03-26 CN disclosed