SCHEMBL6905640

SCHEMBL6905640

CCOC(=O)c1cc(CC)c(Br)cc1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GAA P10253 1/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
IGF1R P08069 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4625607 1.00 MAPK1 (0.42) MAPK1KDM4ENPSR1RXFP1TSHR
SCHEMBL4626509 0.91 TSHR (0.46) MAPK1KDM4ENPSR1RXFP1TSHR
SCHEMBL4625817 0.89 TSHR (0.47) MAPK1KDM4ETSHRCRHBPCRHR2
SCHEMBL4626925 0.89 TSHR (0.50) MAPK1KDM4ENPSR1RXFP1TSHR
SCHEMBL6910969 0.87 MAPK1 (0.43) MAPK1KDM4ENPSR1RXFP1TSHR
SCHEMBL4628623 0.87 MAPK1 (0.43) MAPK1KDM4ENPSR1RXFP1TSHR
Ethane SCHEMBL4639959 0.85 HSD17B10 (0.39) TSHRCA12CA1CA2CA9
Ethane SCHEMBL4639984 0.85 HSD17B10 (0.39) TSHRCA12CA1CA2CA9
SCHEMBL4628625 0.85 KDM4E (0.41) MAPK1KDM4ENPSR1RXFP1TSHR
SCHEMBL4626483 0.85 KDM4E (0.41) MAPK1KDM4ENPSR1RXFP1TSHR

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-6770586-B2 Solid catalyst component and catalyst for olefins polymerization TOHO TITANIUM CO., LTD. (JP) 2004-08-03 US disclosed