SCHEMBL5500301

SCHEMBL5500301

COc1cccc(C(=O)OC(C)(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
CYP1A2 P05177 3/20 0.42
CTSA P10619 1/20 0.40
HPGDS O60760 1/20 0.39
ALDH1A1 P00352 4/20 0.39
APLNR P35414 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 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
SCHEMBL875715 0.82 MAPT (0.55) MAPTCYP1A2CTSAALDH1A1APLNR
SCHEMBL31264286 0.82 MAPT (0.55) MAPTCYP1A2CTSAALDH1A1APLNR
SCHEMBL594691 0.81 GRM5 (0.44) MAPTCYP1A2HPGDSALDH1A1GABRP
SCHEMBL31746517 0.81 GRM5 (0.44) MAPTCYP1A2HPGDSALDH1A1GABRP
SCHEMBL946380 0.79 P2RX7 (0.50) MAPTCYP1A2HPGDSALDH1A1GABRP
SCHEMBL32315381 0.79 P2RX7 (0.50) MAPTCYP1A2HPGDSALDH1A1GABRP
SCHEMBL106420 0.79 APLNR (0.50) CTSAALDH1A1APLNRKDM4EGAA
SCHEMBL8866132 0.78 CTSA (0.45) MAPTCYP1A2CTSAALDH1A1APLNR
SCHEMBL25465653 0.78 PTGER1 (0.46) MAPTCYP1A2HPGDSALDH1A1GABRP
SCHEMBL13755312 0.78 CYP1A2 (0.43) MAPTCYP1A2HPGDSALDH1A1GABRP

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
EP-1740574-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES Otsuka Pharmaceutical Company, Limited (JP) 2007-01-10 EP disclosed
WO-2005105778-A2 4-AMINO-5-CYANOPYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-11-10 WO disclosed