SCHEMBL9509317

SCHEMBL9509317

Cc1cc(C)c(-c2cccc(C)c2C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.47
TRPA1 O75762 1/20 0.39
ATM Q13315 1/20 0.39
CRHR1 P34998 4/20 0.39
PDK2 Q15119 1/20 0.39
MYC P01106 1/20 0.38
NUDT1 P36639 2/20 0.38
ACHE P22303 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP1A2 P05177 4/20 0.35
CYP2A6 P11509 3/20 0.35

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
SCHEMBL29453931 0.89 RAPGEF4 (0.40) RAPGEF4TRPA1ATMCRHR1PDK2
SCHEMBL11741027 0.85 MYC (0.48) TRPA1ATMPDK2MYCNUDT1
SCHEMBL13139873 0.83 ATM (0.48) TRPA1ATMMYCNUDT1ACHE
SCHEMBL4265966 0.81 PDK2 (0.44) TRPA1CRHR1PDK2MYCACHE
SCHEMBL5826733 0.81 CYP3A4 (0.50) RAPGEF4CRHR1PDK2MYC
SCHEMBL10304779 0.78 MYC (0.40) RAPGEF4CRHR1PDK2MYCACHE
SCHEMBL11552812 0.78 ACHE (0.45) RAPGEF4ACHECYP1A2CYP2A6
SCHEMBL26007732 0.77 RAPGEF4 (0.42) RAPGEF4TRPA1ATMNUDT1ACHE
SCHEMBL16050969 0.77 CRHR1 (0.39) CRHR1PDK2MYCACHECYP1A2
SCHEMBL6745620 0.77 ALDH1A1 (0.44) RAPGEF4TRPA1CRHR1PDK2MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0333415-B1 AN ELECTROPHOTOGRAPHIC LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJI PHOTO FILM CO., LTD. (JP) 1993-09-22 EP disclosed
US-5053301-A Zinc oxide, resin binder, hydrophilic resin grains FUJI PHOTO FILM CO., LTD. (JP) 1991-10-01 US disclosed
EP-0333415-A2 An electrophotographic lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 1989-09-20 EP disclosed