SCHEMBL8718646

SCHEMBL8718646

CC(C)C1=C(c2cccc3c2Cc2ccccc2-3)CC=C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.43
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2B P41595 2/20 0.33
EGFR P00533 1/20 0.33
HTR7 P34969 1/20 0.33
PGR P06401 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 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
Hydrochloric Acid SCHEMBL7774355 0.80 NPC1 (0.34) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL8369890 0.78 PNMT (0.41) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL6672847 0.74 PNMT (0.49) PNMTNPC1RAB9AHTR2BEGFR
SCHEMBL29617348 0.74 PNMT (0.49) PNMTNPC1RAB9AHTR2BEGFR
SCHEMBL30103334 0.73 PNMT (0.63) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL524602 0.73 PNMT (0.63) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL8677895 0.71 PNMT (0.42) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL2877998 0.71 PNMT (0.61) PNMTNPC1RAB9AHTR2BHTR7
SCHEMBL6675580 0.71 PNMT (0.49) PNMTNPC1RAB9AHTR2BEGFR
Hydrochloric Acid SCHEMBL2763537 0.70 PNMT (0.36) PNMTNPC1RAB9AHTR2BHTR7

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-5759469-A WITH EXCELLENT TRANSPARENCY THROUGH HEATING, MELTING AND HOT MOLDING MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-02 US disclosed