SCHEMBL18848840

SCHEMBL18848840

COCc1cc(OC)c(COC)cc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.46
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IDO1 P14902 1/20 0.36

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
SCHEMBL18602111 0.89 TAAR1 (0.47) TAAR1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL17388702 0.89 TAAR1 (0.45) TAAR1MAPTHTR2ACYP3A4MEN1
SCHEMBL22421791 0.87 TAAR1 (0.60) TAAR1MAPTSMN1; SMN2HTR2ACYP3A4
SCHEMBL9505644 0.86 ALDH1A1 (0.43) MAPTSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL12736222 0.85 TAAR1 (0.42) TAAR1HTR2ACYP3A4
SCHEMBL7955089 0.84 HTR2A (0.52) TAAR1MAPTSMN1; SMN2HTR2ACYP3A4
SCHEMBL3194453 0.81 ALDH1A1 (0.40) MAPTSMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL12736255 0.80 HTR2A (0.42) TAAR1HTR2A
SCHEMBL10793829 0.79 ALDH1A1 (0.41) MAPTKDM4EMEN1ALDH1A1GAA
SCHEMBL22421793 0.78 PDE4A (0.52) TAAR1MAPTHTR2ACYP3A4MEN1

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-2017077384-A1 INTEGRATION OF ELECTROCHEMICAL PH MODULATION WITH LAB ON A CHIP TECHNOLOGIES ROBERT BOSCH GMBH (DE) 2017-05-11 WO disclosed