SCHEMBL20000970

SCHEMBL20000970

CC(C)COC(C)Oc1ccc(C(CC(C)I)C(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL18488301 0.89 NPSR1 (0.35) NPSR1GAAMAPK1MEN1KMT2A
SCHEMBL2631348 0.78 CYP1A2 (0.32) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL10231953 0.77 IDO1 (0.37) MAPK1MEN1KMT2ACYP3A4CYP2D6
SCHEMBL4965000 0.77 SLC2A1 (0.35) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL18544550 0.77 NPSR1 (0.35) NPSR1GAAMAPK1MEN1KMT2A
SCHEMBL12812090 0.73 MEN1 (0.34) NPSR1GAAMAPK1MEN1KMT2A
SCHEMBL111985 0.73 ALDH1A1 (0.45) GAAMEN1KMT2ACYP2C9PKM
SCHEMBL12019113 0.73 ALDH1A1 (0.45) GAAMEN1KMT2ACYP2C9PKM
SCHEMBL25519766 0.73 ADRA2A (0.35) CYP3A4CYP2D6CYP2C19CYP1A2CYP2C9
SCHEMBL20104976 0.72 ACACB (0.38) NPSR1GAAMAPK1MEN1KMT2A

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
US-20180087010-A1 PRE-RINSING LIQUID, PRE-RINSING TREATMENT METHOD, AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2018-03-29 US disclosed