SCHEMBL5799208

SCHEMBL5799208

COc1ccc(/C=C/C(=O)O)c(C(C)NC(C)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.44
HDAC8 Q9BY41 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LY96 Q9Y6Y9 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL5799211 1.00 THRB (0.46) THRBATMMAPTALDH1A1MEN1
SCHEMBL490210 0.84 THRB (0.53) THRBATMMAPTALDH1A1MEN1
SCHEMBL490211 0.84 THRB (0.53) THRBATMMAPTALDH1A1MEN1
SCHEMBL16266990 0.80 THRB (0.51) THRBATMMAPTALDH1A1MEN1
SCHEMBL16266993 0.80 THRB (0.51) THRBATMMAPTALDH1A1MEN1
SCHEMBL29046248 0.78 KDM4E (0.47) THRBATMMAPTALDH1A1MEN1
SCHEMBL490255 0.77 THRB (0.49) THRBATMMAPTALDH1A1MEN1
SCHEMBL5085445 0.77 THRB (0.49) THRBATMMAPTALDH1A1MEN1
SCHEMBL8523379 0.74 THRB (0.43) THRBATMMAPTALDH1A1MEN1
SCHEMBL8523376 0.74 THRB (0.43) THRBATMMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006039515-A2 COMPOSITION OF SUNSCREEN AND COLOR-CHANGING MARKERS SCHAFFER ROBIN (US) 2006-04-13 WO disclosed
US-20060067896-A1 Composition of sunscreen and color-changing markers SCHAFFER ROBIN 2006-03-30 US disclosed
US-6146618-A Disappearing color sunscreen compositions IPA, LLC (US) 2000-11-14 US disclosed
US-6007797-A Disappearing color sunscreen compositions IPA, LLC (US) 1999-12-28 US disclosed
US-5208011-A Octyl methoxycinnamate, oxybenzone and/or octyl salicylate and polymers SUN PHARMACEUTICAL CORP. (US) 1993-05-04 US disclosed