Heptane

Heptane

SCHEMBL27448448

CCCCCCC.O=C(O)C1C=CCCC1C(=O)O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
ALOX15 P16050 2/20 0.36
USP2 O75604 1/20 0.36
NAAA Q02083 2/20 0.36
S1PR5 Q9H228 1/20 0.36
MAPK1 P28482 1/20 0.35
PSMB11 A5LHX3 1/20 0.35
PSMA7 O14818 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMA1 P25786 1/20 0.35
PSMA2 P25787 1/20 0.35
PSMA3 P25788 1/20 0.35
PSMA4 P25789 1/20 0.35
PSMB8 P28062 1/20 0.35
PSMB9 P28065 1/20 0.35
PSMA5 P28066 1/20 0.35
PSMB4 P28070 1/20 0.35
PSMB6 P28072 1/20 0.35

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
SCHEMBL6561381 0.93 S1PR5 (0.40) POLBNAAAS1PR5MAPK1CNR1
SCHEMBL11364531 0.90 GPR84 (0.38) POLBS1PR5PSMB11PSMA7PSMB1
SCHEMBL22390581 0.86 MAPT (0.37) POLBALDH1A1TDP1TSHRMEN1
SCHEMBL5585363 0.86 MAPT (0.37) POLBALDH1A1TDP1TSHRMEN1
SCHEMBL27341 0.86 MAPT (0.37) POLBALDH1A1TDP1TSHRMEN1
SCHEMBL6426882 0.84 PPARG (0.43) NAAAS1PR5PPARGPTPN1ESR1
Acetic Acid SCHEMBL122299 0.84 MAPT (0.41) POLBTDP1MEN1KMT2A
Bromide SCHEMBL7615302 0.84 MAPT (0.36) POLBALDH1A1TDP1MEN1KMT2A
Iodide SCHEMBL8077383 0.84 MAPT (0.36) POLBALDH1A1TDP1MEN1KMT2A
SCHEMBL9796698 0.84 MAPT (0.36) POLBALDH1A1TDP1MEN1KMT2A

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-1136097-C Organic Composite coated steel plate 日本钢管株式会社 2004-01-28 CN disclosed
CN-1173427-A Organic composite coated steel plate NIPPON KOKAN KK (JP) 1998-02-18 CN disclosed