SCHEMBL12192011

SCHEMBL12192011

C=CC(=O)OC(C)O[C@H](C)Oc1ccc(C(C)(C)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.42
ALDH1A1 P00352 9/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 2/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ESR1 P03372 1/20 0.36
CYP3A4 P08684 1/20 0.36
ESR2 Q92731 1/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6905540 0.95 ALDH1A1 (0.35) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL21114313 0.94 ALDH1A1 (0.34) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL955583 0.94 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL137573 0.88 ALDH1A1 (0.37) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL449798 0.87 THRB (0.43) ALDH1A1SMN1; SMN2GAATDP1MEN1
SCHEMBL18426494 0.85 THRB (0.42) ALDH1A1SMN1; SMN2GAATDP1MEN1
SCHEMBL10836542 0.85 THRB (0.42) ALDH1A1SMN1; SMN2GAATDP1MEN1
SCHEMBL5899611 0.84 KMT2A (0.41) KDM4EALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL21114342 0.84 THRB (0.42) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL28932860 0.84 CYP1A2 (0.51) SMN1; SMN2GAACYP1A2CYP2C9PKM

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
EP-1862855-B1 PHOTOSENSITIVE RESIN COMPOSITION TORAY INDUSTRIES (JP) 2011-10-05 EP disclosed