SCHEMBL9211183

SCHEMBL9211183

CCCCCCC(CC)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 2/20 0.43
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 1/20 0.40
DNM1 Q05193 2/20 0.39
THRB P10828 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ACE2 Q9BYF1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL5142110 1.00 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL9205053 1.00 LMNA (0.50) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL9204512 0.98 ALDH1A1 (0.46) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL5683598 0.90 LMNA (0.54) LMNATSHROPRM1SPHK1DNM1
SCHEMBL1873149 0.90 ALDH1A1 (0.54) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL22471932 0.90 LMNA (0.54) LMNATSHROPRM1SPHK1DNM1
SCHEMBL29640413 0.90 LMNA (0.54) LMNATSHROPRM1SPHK1DNM1
SCHEMBL20821296 0.90 LMNA (0.54) LMNATSHROPRM1SPHK1DNM1
SCHEMBL23172791 0.88 LMNA (0.52) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL4275870 0.87 LMNA (0.56) LMNAALDH1A1TDP1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed