SCHEMBL28034258

SCHEMBL28034258

CC(C(=O)O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCCCCCCCCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
F2R P25116 1/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
PTGS2 P35354 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CA2 P00918 2/20 0.39

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
Tridecan-1-Ol SCHEMBL29043979 0.94 VCAM1 (0.40) LMNARECQLGLRA3GLRBNR5A2
Cetostearyl Alcohol SCHEMBL27617449 0.94 VCAM1 (0.40) LMNARECQLGLRA3GLRBNR5A2
Stearic Acid SCHEMBL30966112 0.93 VCAM1 (0.46) KMT2AALDH1A1TDP1TSHR
SCHEMBL28375467 0.90 ESR1 (0.42) GPR55PTGS2SMN1; SMN2
SCHEMBL100584 0.89 GLRA3 (0.50) LMNARECQLGLRA3GLRBGAA
SCHEMBL6275312 0.89 GLRA3 (0.50) LMNARECQLGLRA3GLRBGAA
1,6-Hexanediol SCHEMBL887987 0.88 VCAM1 (0.43) LMNARECQLGLRA3GLRBGAA
1,6-Hexanediol SCHEMBL27465667 0.88 VCAM1 (0.43) LMNARECQLGLRA3GLRBGAA
SCHEMBL12469235 0.88 KDM4E (0.45) LMNARECQLNR5A2NR5A1F2R
SCHEMBL28952371 0.88 NR5A2 (0.39) LMNARECQLGLRA3GLRBNR5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102439242-B Multiwall sheet, article, and method of making a multiwall sheet SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2015-11-25 CN disclosed