SCHEMBL531192

SCHEMBL531192

C=CC1(CC(CC)CCCCCCCC)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
MMP9 P14780 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 1/20 0.30
ADH4 P08319 1/20 0.30
ADH7 P40394 1/20 0.30
CYP3A4 P08684 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
SCHEMBL531339 0.94 TSHR (0.40) TSHRMMP9ALDH1A1TDP1CYP3A4
SCHEMBL531179 0.71 HSD17B10 (0.34) TSHRMMP9ALDH1A1
SCHEMBL532319 0.69 MMP9 (0.36) LMNAMMP9ALDH1A1CYP3A4
SCHEMBL1902832 0.65 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL1905280 0.65 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL25172392 0.65 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL10703575 0.65 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL10875533 0.65 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL25171268 0.65 LMNA (0.46) TSHRLMNAPRSS1PRSS2PRSS3
SCHEMBL1901329 0.65 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414409-A1 POLYMERS HAVING N-VINYL AMIDE AND HYDROXYL MOIETIES Isp Investments Inc. (US) 2012-02-08 EP disclosed
WO-2010117660-A1 POLYMERS HAVING N-VINYL AMIDE AND HYDROXYL MOIETIES ISP INVESTMENTS INC. (US) 2010-10-14 WO disclosed