SCHEMBL16014176

SCHEMBL16014176

C=CCC1CC(CC=C)C(=O)OC1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.38
CTRC Q99895 2/20 0.38
F2 P00734 1/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 2/20 0.33
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CYP19A1 P11511 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL29193644 0.86 PRSS1 (0.33) PRSS1CTRCF2FAAHNOS1
SCHEMBL13957068 0.78 ALDH1A1 (0.50) PRSS1CTRCF2FAAHALDH1A1
SCHEMBL113660 0.78 ALDH1A1 (0.50) PRSS1CTRCF2FAAHALDH1A1
SCHEMBL9450611 0.77 PRSS1 (0.39) PRSS1CTRCF2FAAHALDH1A1
SCHEMBL14883029 0.77 PRSS1 (0.35) PRSS1CTRCF2FAAHALDH1A1
SCHEMBL9450639 0.77 PRSS1 (0.39) PRSS1CTRCF2FAAHALDH1A1
SCHEMBL9450640 0.77 PRSS1 (0.39) PRSS1CTRCF2FAAHALDH1A1
SCHEMBL28410316 0.77 ALDH1A1 (0.49) PRSS1CTRCF2FAAHALDH1A1
SCHEMBL14883094 0.75 KMT2A (0.42) PRSS1CTRCF2FAAHALDH1A1
SCHEMBL9487973 0.75 PRSS1 (0.38) PRSS1CTRCF2FAAH

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
WO-2014136806-A1 ORGANOPOLYSILOXANE AND MANUFACTURING METHOD THEREOF DOW CORNING TORAY CO., LTD. (JP) 2014-09-12 WO disclosed
WO-2014136805-A1 CURABLE SILICONE COMPOSITION, CURED PRODUCT THEREOF, AND OPTICAL SEMICONDUCTOR DEVICE DOW CORNING TORAY CO., LTD. (JP) 2014-09-12 WO disclosed