SCHEMBL12948131

SCHEMBL12948131

CCC(C)(C)C(=O)c1ccc(C(=O)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ DBH P09172 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MLYCD O95822 9/20 0.37
▸ PGR P06401 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ RIPK1 Q13546 6/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12948138 0.86 MLYCD (0.42) MLYCDRIPK1
SCHEMBL10046303 0.86 LMNA (0.38) KDM4EGAAMLYCDPGRADRA2A
SCHEMBL14652437 0.85 KDM4E (0.47) KDM4EDBHGAARECQLMLYCD
SCHEMBL13313738 0.83 GAA (0.42) KDM4EDBHGAARECQLPGR
SCHEMBL12948128 0.80 PGR (0.39) MLYCDPGRRIPK1
SCHEMBL14135048 0.80 MAPT (0.44) KDM4EMLYCDRIPK1
SCHEMBL16683783 0.80 KDM4E (0.48) KDM4EDBHGAARECQLMLYCD
SCHEMBL5471636 0.79 ALDH1A1 (0.52) —
SCHEMBL18792784 0.79 HSD17B3 (0.48) PGRADRA2AADRA2BHTR2ALMNA
SCHEMBL11816693 0.79 CA2 (0.50) GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107323-A1 METHOD FOR MAKING PARTICULATE AMINE-FUNCTIONALIZED POLYARYLETHERKETONE POLYMERS AND COPOLYMERS THEREOF OXFORD PERFORMANCE MATERIALS, INC 2017-04-20 — — US disclosed
US-20110009550-A1 ORGANOPOLYSILOXANE COMPOSITION AND PROCESS FOR PRODUCING ROPE STRUCTURE WITH THE SAME KURARAY CO., LTD. (JP) 2011-01-13 — — US disclosed
US-7790786-B2 Wholly aromatic liquid crystal polyester resin composition and optical pickup lens holder NIPPON OIL CORPORATION (JP) 2010-09-07 — — US disclosed
US-7737198-B2 Wholly aromatic liquid crystal polyester resin molded product NIPPON OIL CORPORATION (JP) 2010-06-15 — — US disclosed
Send feedback