SCHEMBL16014107

SCHEMBL16014107

C=CCC1CC(=O)OC(=O)C1CC=C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.40
CTRC Q99895 2/20 0.40
F2 P00734 1/20 0.40
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.31
CTSG P08311 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
SCHEMBL15672438 0.75 PRSS1 (0.46) PRSS1CTRCF2ALDH1A1ELANE
SCHEMBL113660 0.75 ALDH1A1 (0.50) PRSS1CTRCF2ALDH1A1TSHR
SCHEMBL13957068 0.75 ALDH1A1 (0.50) PRSS1CTRCF2ALDH1A1TSHR
SCHEMBL28410316 0.73 ALDH1A1 (0.49) PRSS1CTRCF2ALDH1A1TSHR
SCHEMBL4081457 0.70 PRSS1 (0.38) PRSS1CTRCF2ALDH1A1TSHR
SCHEMBL3016847 0.69 F2 (0.46) PRSS1CTRCF2ELANECTSG
SCHEMBL14882993 0.68 MEN1 (0.36) PRSS1CTRCF2ALDH1A1
SCHEMBL2845072 0.68 PRSS1 (0.38) PRSS1CTRCF2ALDH1A1ELANE
Alcohol SCHEMBL29110705 0.68 ALDH1A1 (0.51) PRSS1CTRCF2ALDH1A1TSHR
SCHEMBL375454 0.67

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