SCHEMBL8053565

SCHEMBL8053565

CC([O])c1ccc(C(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.47
TSHR P16473 3/20 0.46
NR1H4 Q96RI1 2/20 0.44
LMNA P02545 2/20 0.44
TYR P14679 1/20 0.44
TP53 P04637 1/20 0.44
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.41
GPR35 Q9HC97 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HDAC1 Q13547 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SRD5A2 P31213 1/20 0.39

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
SCHEMBL11747913 0.81 TYR (0.39) LMNATYRALDH1A1AKR1C3
SCHEMBL8955877 0.80 TSHR (0.46) GRIA4TSHRNR1H4LMNATYR
SCHEMBL8545831 0.80 TSHR (0.46) GRIA4TSHRNR1H4LMNATYR
SCHEMBL9621026 0.79 TSHR (0.50) GRIA4TSHRNR1H4LMNATYR
SCHEMBL548066 0.79 TSHR (0.50) GRIA4TSHRNR1H4LMNATYR
SCHEMBL1046560 0.78 PDE2A (0.50) TSHRALDH1A1AKR1C3AKR1C2
SCHEMBL18243543 0.78 TSHR (0.40) GRIA4TSHRLMNATP53ALDH1A1
SCHEMBL8762246 0.77 TSHR (0.48) GRIA4TSHRNR1H4LMNATYR
SCHEMBL292572 0.76 TSHR (0.52) GRIA4TSHRNR1H4LMNATYR
SCHEMBL24209319 0.75 PDE2A (0.63) GRIA4TSHRNR1H4LMNATYR

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
CN-102274527-B Contrast agents for myocardial perfusion imaging LANTHEUS MEDICAL IMAGING INC 2015-04-29 CN disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
US-4742073-A ANTIGLAUCOMA BUNDGAARD HANS (DK) 1988-05-03 US disclosed