SCHEMBL27897327

SCHEMBL27897327

CCCc1ccccc1O.N#CC#N

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 1/20 0.61
▸ TAAR1 Q96RJ0 1/20 0.52
▸ HSPA5 P11021 1/20 0.48
▸ MPO P05164 4/20 0.46
▸ TSHR P16473 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ AKR1B1 P15121 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ MGLL Q99685 1/20 0.40
▸ IAPP P10997 1/20 0.40

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
Water SCHEMBL28808882 0.94 HTR1A (0.62) HTR1ATAAR1HSPA5MPOTSHR
SCHEMBL51747 0.91 HTR1A (0.64) HTR1ATAAR1HSPA5MPOTSHR
SCHEMBL30595395 0.91 HTR1A (0.64) HTR1ATAAR1HSPA5MPOTSHR
Butane SCHEMBL27313193 0.89 HTR1A (0.62) HTR1ATAAR1HSPA5MPOTSHR
Benzene SCHEMBL21359906 0.89 HTR1A (0.62) HTR1ATAAR1HSPA5MPOTSHR
SCHEMBL28362117 0.89 HTR1A (0.62) HTR1ATAAR1HSPA5MPOTSHR
SCHEMBL27567998 0.89 HTR1A (0.62) HTR1ATAAR1HSPA5MPOTSHR
Hydrogen Sulfide SCHEMBL11212668 0.89 HTR1A (0.62) HTR1ATAAR1HSPA5MPOTSHR
Ammonia Solution, Strong SCHEMBL28171090 0.89 HTR1A (0.62) HTR1ATAAR1HSPA5MPOTSHR
Propane SCHEMBL27876140 0.89 HTR1A (0.62) HTR1ATAAR1HSPA5MPOTSHR

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-103038317-B Method for thermally cleaving organic waste having high molecular weight NEXXOIL AG 2015-05-13 — — CN disclosed
CN-103038317-A Method for thermally cleaving organic waste having high molecular weight NEXXOIL AG 2013-04-10 — — CN disclosed
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