SCHEMBL3849261

SCHEMBL3849261

CCC1(COCC2(CC)COC2)COC1.CCCCCC(O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.35
TSHR P16473 1/20 0.30
GPR84 Q9NQS5 3/20 0.30
DAGLA Q9Y4D2 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL3855468 0.88 CTSK (0.33) CTSKTSHR
SCHEMBL9935397 0.79 CTSK (0.35) CTSKGPR84DAGLASPHK1FFAR1
SCHEMBL9935957 0.79 CTSK (0.35) CTSKGPR84DAGLASPHK1FFAR1
SCHEMBL439901 0.78 TSHR (0.36) TSHR
SCHEMBL5810223 0.78 ALDH1A1 (0.39) CTSK
SCHEMBL13423668 0.77 ACE2 (0.35) CTSK
SCHEMBL19105133 0.77 ALDH1A1 (0.43) CTSKTSHR
SCHEMBL14940501 0.77 CTSK (0.34) CTSK
SCHEMBL2623190 0.76 ALDH1A1 (0.42) SPHK1
SCHEMBL14256281 0.76 ALDH1A1 (0.42) SPHK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576142-B2 Polyorganosiloxane and curable composition containing same TOAGOSEI CO., LTD. (JP) 2009-08-18 US disclosed
EP-1775317-B1 POLYORGANOSILOXANE AND CURABLE COMPOSITION CONTAINING SAME TOAGOSEI CO LTD (JP) 2009-04-15 EP disclosed
US-20080033137-A1 Polyorganosiloxane And Curable Composition Containing Same TOAGOSEI CO., LTD. (JP) 2008-02-07 US disclosed
EP-1775317-A1 POLYORGANOSILOXANE AND CURABLE COMPOSITION CONTAINING SAME TOAGOSEI CO., LTD. (JP) 2007-04-18 EP disclosed