Heptane

Heptane

SCHEMBL28077048

CCCCCCC.CCCCCCCC(OC)OC.CCCCCCCC(OCC)OCC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
OPRM1 P35372 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.37
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
GPR84 Q9NQS5 3/20 0.33
FDPS P14324 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL10063342 0.93 SMPD1 (0.44) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL3506995 0.91 SMPD1 (0.48) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL872866 0.91 SMPD1 (0.48) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL3506724 0.91 SMPD1 (0.48) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL113618 0.91 SMPD1 (0.48) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL6666312 0.91 SMPD1 (0.48) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL8930848 0.91 SMPD1 (0.48) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL7549190 0.91 SMPD1 (0.48) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL21484061 0.91 SMPD1 (0.48) SMPD1OPRM1ZDHHC7LMNADNM1
SCHEMBL3506094 0.91 SMPD1 (0.48) SMPD1OPRM1ZDHHC7LMNADNM1

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-103502315-B Composition and polymer 旭化成株式会社 2016-08-17 CN disclosed
CN-105754099-A Composition and polymer 旭化成株式会社 2016-07-13 CN disclosed