SCHEMBL4592776

SCHEMBL4592776

Cc1c(C)c2c(c(C)c1OCc1ccccc1)CC[C@@](C)(C(=O)O)O2

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.65
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
TTPA P49638 3/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL6597291 1.00 PSEN1 (0.65) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2140140 0.90 PSEN1 (0.53) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL11701054 0.90 PSEN1 (0.56) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL2140130 0.90 PSEN1 (0.53) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL6724988 0.88 PSEN1 (0.58) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL6732328 0.86 PSEN1 (0.60) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7999828 0.84 PSEN1 (0.46) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL10536937 0.84 PSEN1 (0.48) PSEN1ALOX5
SCHEMBL10547297 0.84 PSEN1 (0.48) PSEN1ALOX5
SCHEMBL10547295 0.84 PSEN1 (0.48) PSEN1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254130-B1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RES DEV FOUNDATION (US) 2008-01-02 EP disclosed
EP-1254130-A4 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RES DEV FOUNDATION (US) 2003-04-23 EP disclosed
EP-1254130-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2002-11-06 EP disclosed
WO-2001058889-A1 TOCOPHEROLS, TOCOTRIENOLS, OTHER CHROMAN AND SIDE CHAIN DERIVATIVES AND USES THEREOF RESEARCH DEVELOPMENT FOUNDATION (US) 2001-08-16 WO disclosed