Heptane

Heptane

SCHEMBL6690693

CCCCCCC.CCCCCCC.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 10/20 0.59
LPAR2 Q9HBW0 7/20 0.59
TSHR P16473 2/20 0.57
THRB P10828 1/20 0.57
LMNA P02545 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
LPAR1 Q92633 3/20 0.46
FDPS P14324 3/20 0.46
GGPS1 O95749 1/20 0.46

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
Hexadecane SCHEMBL5453965 1.00 LPAR3 (0.59) LPAR3LPAR2TSHRTHRBLMNA
Nonane SCHEMBL4436298 1.00 LPAR3 (0.59) LPAR3LPAR2TSHRTHRBLMNA
Dodecane SCHEMBL1047088 1.00 LPAR3 (0.59) LPAR3LPAR2TSHRTHRBLMNA
Octane SCHEMBL6698039 1.00 LPAR3 (0.59) LPAR3LPAR2TSHRTHRBLMNA
Heptane SCHEMBL6693499 1.00 LPAR3 (0.59) LPAR3LPAR2TSHRTHRBLMNA
SCHEMBL10626512 1.00 LPAR3 (0.59) LPAR3LPAR2TSHRTHRBLMNA
Tridecane SCHEMBL8596588 1.00 LPAR3 (0.59) LPAR3LPAR2TSHRTHRBLMNA
SCHEMBL2716236 1.00 LPAR3 (0.59) LPAR3LPAR2TSHRTHRBLMNA
Hexadecane SCHEMBL22117999 1.00 LPAR3 (0.59) LPAR3LPAR2TSHRTHRBLMNA
Decane SCHEMBL11810279 1.00 LPAR3 (0.59) LPAR3LPAR2TSHRTHRBLMNA

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-20040204325-A1 Transmission fluid compositions for automobiles NIPPON OIL CORPORATION 2004-10-14 US disclosed
US-20040192562-A1 Lubricating oil composition NIPPON OIL CORPORATION 2004-09-30 US disclosed