SCHEMBL31868

SCHEMBL31868

CCOC(=O)c1ccc(Oc2ccc(CN)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
LOXL2 Q9Y4K0 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAOA P21397 1/20 0.57
STS P08842 1/20 0.56
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
ESR1 P03372 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
ESR2 Q92731 1/20 0.54
CA14 Q9ULX7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
ST14 Q9Y5Y6 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
PRSS1 P07477 2/20 0.49
ACR P10323 1/20 0.49

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
SCHEMBL687664 0.92 LOXL2 (0.67) LMNALOXL2CYP1A2CYP3A4MAOA
Hydrochloric Acid SCHEMBL367399 0.90 LOXL2 (0.65) LMNALOXL2CYP1A2CYP3A4MAOA
SCHEMBL21656957 0.88 CA12 (0.59) LMNACYP1A2CYP3A4MAOASTS
SCHEMBL8656770 0.88 CA12 (0.68) LMNACYP1A2CYP3A4MAOASTS
Phosphoric Acid SCHEMBL27419958 0.85 LOXL2 (0.59) LMNALOXL2CYP1A2CYP3A4MAOA
Sulfuric Acid SCHEMBL8295634 0.85 LOXL2 (0.59) LMNALOXL2CYP1A2CYP3A4MAOA
Phosphoric Acid SCHEMBL27419957 0.85 LOXL2 (0.59) LMNALOXL2CYP1A2CYP3A4MAOA
SCHEMBL8018978 0.85 CA12 (0.56) LMNACYP1A2CYP3A4MAOASTS
SCHEMBL21656847 0.84 CA12 (0.54) LMNACYP1A2CYP3A4MAOASTS
SCHEMBL8026628 0.84 CA12 (0.54) LMNACYP1A2CYP3A4MAOASTS

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
WO-2012026495-A1 NOVEL HYDANTOIN DERIVATIVE AND MEDICINAL AGENT COMPRISING SAME AS ACTIVE INGREDIENT 杏林製薬株式会社 (JP) 2012-03-01 WO disclosed