SCHEMBL27447175

SCHEMBL27447175

CC(c1cccc2c1Cc1ccccc1-2)C1C=CC=C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTR7 P34969 1/20 0.34
HTR2B P41595 1/20 0.34
EGFR P00533 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
RRM1 P23921 1/20 0.34
RRM2B Q7LG56 1/20 0.34
PGR P06401 1/20 0.33
CYP17A1 P05093 1/20 0.32
CYP1A2 P05177 1/20 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
ALDH1A1 P00352 2/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL6675580 0.79 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL29617348 0.79 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6672847 0.79 PNMT (0.49) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6557930 0.77 PNMT (0.47) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL6558708 0.76 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL7166662 0.76 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
Hydrochloric Acid SCHEMBL6558717 0.76 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL2231457 0.76 NPC1 (0.47) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1609628 0.76 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL19682347 0.76 PNMT (0.46) PNMTNPC1RAB9AHTR7HTR2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1060176-C Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 2001-01-03 CN disclosed
CN-1109472-A Organometallic fluorenyl compounds, preparation, and use PHILLIPS PETROLEUM CO (US) 1995-10-04 CN disclosed