SCHEMBL7604200

SCHEMBL7604200

CC(C)(C)c1c(CCc2ccc3c(c2C(C)(C)C)Cc2ccccc2-3)ccc2c1Cc1ccccc1-2.[Zr]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.45
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
PGR P06401 1/20 0.36
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
TSHR P16473 2/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 3/20 0.32
HTR2B P41595 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32

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 SCHEMBL5346152 0.95 PNMT (0.44) PNMTNPC1RAB9APGRALDH1A1
SCHEMBL8857026 0.87 PNMT (0.38) PNMTNPC1RAB9APGRMAP3K9
Hydrochloric Acid SCHEMBL7606459 0.85 PNMT (0.36) PNMTNPC1RAB9APGRDRD2
SCHEMBL7606777 0.79 PNMT (0.49) PNMTNPC1RAB9APGRALDH1A1
SCHEMBL20241461 0.79 PNMT (0.41) PNMTNPC1RAB9APGRALDH1A1
SCHEMBL32687413 0.79 PNMT (0.41) PNMTNPC1RAB9APGRALDH1A1
Hydrochloric Acid SCHEMBL9167880 0.76 PNMT (0.36) PNMTNPC1RAB9APGRDRD2
Hydrochloric Acid SCHEMBL27407136 0.76 PNMT (0.39) PNMTNPC1RAB9APGRALDH1A1
SCHEMBL29254253 0.76 PNMT (0.37) PNMTNPC1RAB9APGRALDH1A1
SCHEMBL6911676 0.76 PNMT (0.49) PNMTNPC1RAB9APGRALDH1A1

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
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP claimed