SCHEMBL868633

SCHEMBL868633

C=CN1C(=O)C1CC(CC)CCCCCCCC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
DAGLA Q9Y4D2 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
GBA1 P04062 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
SCHEMBL868041 1.00 TSHR (0.34) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL867462 0.94 TSHR (0.39) TSHRALDH1A1TDP1
SCHEMBL1618605 0.74 CYP1A2 (0.36) TSHRALDH1A1
SCHEMBL10875533 0.64 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL1901329 0.64 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL25172392 0.64 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL10703575 0.64 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL1902832 0.64 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL25171268 0.64 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL1905280 0.64 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190071529-A1 POLYMERS HAVING N-VINYL AMIDE AND HYDROXYL MOIETIES, THEIR COMPOSITIONS AND THE USES THEREOF ISP INVESTMENTS LLC (US) 2019-03-07 US claimed
US-20120077717-A1 Polymers Having N-Vinyl Amide And Hydroxyl Moieties, Their Compositions And The Uses Thereof ISP INVESTMENTS INC. (US) 2012-03-29 US claimed
US-11072675-B2 Polymers having N-vinyl amide and hydroxyl moieties, their compositions and the uses thereof ISP INVESTMENTS LLC (US) 2021-07-27 US disclosed
US-10400052-B2 Polymers having N-vinyl amide and hydroxyl moieties, their compositions and the uses thereof ISP INVESTMENTS LLC (US) 2019-09-03 US disclosed
US-20190071529-A1 POLYMERS HAVING N-VINYL AMIDE AND HYDROXYL MOIETIES, THEIR COMPOSITIONS AND THE USES THEREOF ISP INVESTMENTS LLC (US) 2019-03-07 US disclosed
EP-2985299-A1 POLYMERS HAVING N-VINYL AMIDE AND HYDROXYL MOIETIES ISP Investments Inc. (US) 2016-02-17 EP disclosed
US-20120077717-A1 Polymers Having N-Vinyl Amide And Hydroxyl Moieties, Their Compositions And The Uses Thereof ISP INVESTMENTS INC. (US) 2012-03-29 US disclosed