SCHEMBL9204512

SCHEMBL9204512

CCCCCC(CC)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 4/20 0.44
TSHR P16473 2/20 0.44
OPRM1 P35372 1/20 0.44
CA2 P00918 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 2/20 0.37
SPHK1 Q9NYA1 1/20 0.37
TP53 P04637 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
DNM1 Q05193 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34

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
SCHEMBL9211183 0.98 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5142110 0.98 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL9205053 0.98 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL1873149 0.92 ALDH1A1 (0.54) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL17135388 0.90 LMNA (0.50) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL29155842 0.89 ALDH1A1 (0.43) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL20821296 0.87 LMNA (0.54) LMNATSHROPRM1CA1SPHK1
SCHEMBL22471932 0.87 LMNA (0.54) LMNATSHROPRM1CA1SPHK1
SCHEMBL29640413 0.87 LMNA (0.54) LMNATSHROPRM1CA1SPHK1
SCHEMBL5683598 0.87 LMNA (0.54) LMNATSHROPRM1CA1SPHK1

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