SCHEMBL16320515

SCHEMBL16320515

O=C(O)CC(O)CCCCCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.74
TRPV1 Q8NER1 3/20 0.65
MMP12 P39900 3/20 0.61
MMP13 P45452 2/20 0.61
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP14 P50281 1/20 0.61
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
GPR84 Q9NQS5 4/20 0.53
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52

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
SCHEMBL3877196 0.98 TRPA1 (0.71) TRPA1TRPV1MMP12MMP13MMP2
SCHEMBL28009949 0.93 MMP12 (0.65) TRPA1TRPV1MMP12MMP13MMP2
SCHEMBL1063147 0.93 MMP12 (0.65) TRPA1TRPV1MMP12MMP13MMP2
SCHEMBL6796065 0.87 TRPA1 (0.70) TRPA1TRPV1MMP12MMP13MMP2
SCHEMBL8333817 0.85 MMP12 (0.80) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL687094 0.85 MMP12 (0.80) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL4745347 0.85 MMP12 (0.80) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL19682101 0.85 TRPA1 (0.67) TRPA1TRPV1MAPTRXFP1S1PR2
SCHEMBL10095138 0.85 TRPA1 (0.68) TRPA1TRPV1MMP12MMP13MMP2
SCHEMBL29141353 0.83 DPP4 (0.66) TRPA1TRPV1MMP12MMP13MMP2

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
EP-2818562-A1 Utilization of the novel, environmental isolate Pseudomonas sp. IPB-A36 for the efficient production of mcl/lcl-PHAs and specialty-PHAs Dritte Patentportfolio Beteiligungsgesellschaft mbH & Co. KG (DE) 2014-12-31 EP disclosed
US-20140378647-A1 UTILIZATION OF THE NOVEL, ENVIRONMENTAL ISOLATE PSEUDOMONAS sp. IPB-A36 FOR THE EFFICIENT PRODUCTION OF mcl/lcl-PHAs and SPECIALTY-PHAs DRITTE PATENTPORTFOLIO BETEILLIGUNGSGESELLSCHAFT MBH & CO. KG (DE) 2014-12-25 US disclosed