SCHEMBL10692643

SCHEMBL10692643

Cc1cc(O)c(O)c(CN)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.37
SELP P16109 1/20 0.37
SELE P16581 1/20 0.37
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
G6PD P11413 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
CCR6 P51684 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
SCHEMBL5676441 0.82 SELL (0.40) SELLSELPSELEMAPTALDH1A1
SCHEMBL28166466 0.80 MAPT (0.36) MAPTALDH1A1GAALMNAKDM4E
Methane SCHEMBL27839244 0.78 SHBG (0.39) SELLSELPSELEMAPTALDH1A1
Methane SCHEMBL2219454 0.78 SHBG (0.39) SELLSELPSELEMAPTALDH1A1
SCHEMBL395734 0.76 SLC11A2 (0.35) CYP3A4MAPK1HTR1D
SCHEMBL5680646 0.75 SELL (0.34) SELLSELPSELEMAPTALDH1A1
SCHEMBL5678432 0.74 ALOX5 (0.56) MAPTALDH1A1GAAKDM4ECYP3A4
SCHEMBL12192752 0.72 ALDH1A1 (0.43) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL5159843 0.72 ALDH1A1 (0.42) MAPTALDH1A1GAALMNAKDM4E
SCHEMBL2219451 0.72 MAOB (0.36) SELLSELPSELEMAPTALDH1A1

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-0254097-A2 Catalyst mixtures for polyisocyanurate foam THE CELOTEX CORPORATION (US) 1988-01-27 EP disclosed