SCHEMBL10085535

SCHEMBL10085535

C=CC(=O)OC(CCC1C=CCC1)CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 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
SCHEMBL10085537 0.78 TSHR (0.37) TDP1TSHR
SCHEMBL27477306 0.72 TSHR (0.52) ALDH1A1TSHR
SCHEMBL23494037 0.72 TSHR (0.44) ALDH1A1TSHR
SCHEMBL23794924 0.69 CTSK (0.49) ALDH1A1TSHR
SCHEMBL1524634 0.69 USP2 (0.39) USP2ALDH1A1ALOX15TDP1CHRNB2
SCHEMBL13649119 0.69 TSHR (0.35) USP2ALDH1A1ALOX15TDP1TSHR
SCHEMBL23494129 0.68 TSHR (0.47) ALDH1A1TSHR
SCHEMBL22440161 0.67 CTSK (0.43) USP2TDP1TSHR
SCHEMBL15413773 0.67 CTSK (0.43) USP2TDP1TSHR
SCHEMBL27577774 0.67 CTSK (0.43) USP2TDP1TSHR

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-8158212-B2 Ink composition, inkjet recording method, and printed material FUJIFILM CORPORATION (JP) 2012-04-17 US disclosed
US-20100239830-A1 INK COMPOSITION, INKJET RECORDING METHOD, PRINTED MATERIAL, AND PROCESS FOR PRODUCING MOLDED PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
US-20090244116-A1 INKJET RECORDING METHOD AND INKJET RECORDING SYSTEM FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20080286484-A1 INK COMPOSITION, INKJET RECORDING METHOD, AND PRINTED MATERIAL FUJIFILM CORPORATION (JP) 2008-11-20 US disclosed