SCHEMBL4276108

SCHEMBL4276108

CCOCc1cc(COCC)nc(COCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.38
▸ NTRK1 P04629 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL4963981 0.80 TSHR (0.35) P2RX7TSHRTRPV1
SCHEMBL4263972 0.74 KCNH2 (0.48) P2RX7LMNACYP1A2KCNH2NCF1
SCHEMBL13640616 0.73 NQO1 (0.44) CYP3A4SMN1; SMN2CHRM1TSHRTDP1
SCHEMBL6418439 0.71 TACR1 (0.43) —
SCHEMBL4272782 0.71 PKM (0.43) MEN1LMNAKMT2ATDP1
SCHEMBL2095325 0.71 TACR1 (0.47) SMN1; SMN2
SCHEMBL30961474 0.71 P2RX7 (0.31) P2RX7
SCHEMBL30961402 0.71 P2RX7 (0.37) P2RX7KMT2A
SCHEMBL2281030 0.70 IDO1 (0.52) KMT2A
SCHEMBL15573480 0.70 IDO1 (0.54) NTRK1MEN1TSHRKMT2ADDX3X

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
US-7605215-B2 Process for producing olefin copolymerization catalyst and process for producing olefin copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-20 — — US disclosed
US-20080227937-A1 Process for Producing Olefin Copolymerization Catalyst and Process for Producing Olefin Copolymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-18 — — US disclosed
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