SCHEMBL19612469

SCHEMBL19612469

CC(C)Oc1cc(Oc2ccccc2)c(OC(C)C)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
TSPO P30536 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
RHEB Q15382 1/20 0.35
ATM Q13315 1/20 0.35
LTA4H P09960 1/20 0.34
TSHR P16473 1/20 0.34
DHODH Q02127 1/20 0.34
PTGS1 P23219 1/20 0.33

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
SCHEMBL19612403 0.84 NTRK1 (0.39) NTRK1NTRK3NTRK2TSPONPSR1
SCHEMBL17912817 0.83 NTRK1 (0.40) NTRK1NTRK3NTRK2TSPOIRAK4
SCHEMBL19612276 0.81 ALDH1A1 (0.43) NPSR1MAPTKDM4EKMT2ACYP1A2
SCHEMBL19612419 0.79 IRAK4 (0.41) NTRK1NTRK3NTRK2NPSR1MAPT
SCHEMBL19612344 0.76 NPSR1 (0.43) NTRK1NTRK3NTRK2TSPONPSR1
SCHEMBL19612308 0.76 HTT (0.47) NPSR1MAPTKDM4EKMT2ACYP1A2
SCHEMBL31552433 0.75 L3MBTL1 (0.42) MAPTKDM4EGLAKMT2ACYP3A4
SCHEMBL24926216 0.75 ALDH1A1 (0.50) NTRK1NTRK3NTRK2TSPONPSR1
SCHEMBL19612272 0.75 ALDH1A1 (0.48) MAPTKDM4EGLAKMT2ALTA4H
SCHEMBL19612510 0.75 CSNK2A1 (0.40) NPSR1MAPTKDM4EKMT2ACYP1A2

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-20170336728-A1 ULTRAVIOLET CURABLE LIQUID COMPOSITION, ULTRAVIOLET CURING INKJET INK, ULTRAVIOLET CURING WET ELECTROPHOTOGRAPHIC LIQUID DEVELOPER, ULTRAVIOLET CURING ELECTROSTATIC INKJET INK, AND IMAGE FORMING METHOD USING THEREOF CANON KABUSHIKI KAISHA (JP) 2017-11-23 US disclosed