SCHEMBL8778314

SCHEMBL8778314

Cc1cc(CC(CC(CC(Cc2cc(C)c(O)c(C)c2)C(=O)O)(CC(Cc2cc(C)c(O)c(C)c2)C(=O)O)CC(Cc2cc(C)c(O)c(C)c2)C(=O)O)C(=O)O)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.41
CXCL12 P48061 1/20 0.41
CYP1A2 P05177 1/20 0.39
SIRT5 Q9NXA8 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CPA1 P15085 3/20 0.35
CPA3 P15088 2/20 0.35
FOLH1 Q04609 1/20 0.35
CPB1 P15086 1/20 0.35
CPB2 Q96IY4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL6714136 0.88 CYP1A2 (0.42) HMGB1CXCL12CYP1A2
SCHEMBL9972723 0.88 CYP1A2 (0.50) HMGB1CXCL12CYP1A2SIRT5NR3C1
SCHEMBL201844 0.81 HMGCR (0.47) CYP1A2TDP1
SCHEMBL2026376 0.78 HMGB1 (0.39) HMGB1CXCL12CYP1A2NR3C1PGR
SCHEMBL7211982 0.76 PPARG (0.40) CYP1A2TDP1
SCHEMBL10024350 0.75 KDM6B (0.53) HMGB1CXCL12CYP1A2SIRT5NR3C1
SCHEMBL9972708 0.75 HMGB1 (0.46) HMGB1CXCL12CYP1A2SIRT5NR3C1
SCHEMBL17491250 0.75 PTGES (0.47) ESR1FOLH1
SCHEMBL17491351 0.75 PTGES (0.47) ESR1FOLH1
SCHEMBL17491186 0.75 PTGES (0.47) ESR1FOLH1

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-0812369-A1 POLYESTER FIBRES OR THREADS WITH HIGH PILL RESISTANCE AKZO NOBEL N.V. (NL) 1997-12-17 EP claimed
WO-1996027037-A1 POLYESTER FIBRES OR THREADS WITH HIGH PILL RESISTANCE AKZO NOBEL N.V. (NL) 1996-09-06 WO claimed