SCHEMBL13293266

SCHEMBL13293266

CCCOC(=O)C(C)(C)C(C)(C)C(=O)OCC(O)COC(=O)c1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 9/20 0.60
▸ ADRB1 P08588 9/20 0.60
▸ ADRB3 P13945 9/20 0.60
▸ LMNA P02545 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MAOA P21397 2/20 0.49
▸ CYP2D6 P10635 2/20 0.45
▸ SCN1A P35498 2/20 0.45
▸ SCN2A Q99250 2/20 0.45
▸ SCN3A Q9NY46 2/20 0.45
▸ CHRM2 P08172 1/20 0.45

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
SCHEMBL25807503 0.80 ADRB2 (0.67) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL10880505 0.78 ADRB2 (0.68) ADRB2ADRB1ADRB3LMNACYP1A2
Risocaine SCHEMBL118038 0.78 LMNA (0.80) LMNACYP1A2CYP3A4TSHRCYP2C9
Risocaine SCHEMBL10481404 0.76 LMNA (0.77) LMNACYP1A2CYP3A4TSHRCYP2C9
Risocaine SCHEMBL21873190 0.76 LMNA (0.77) LMNACYP1A2CYP3A4TSHRCYP2C9
Risocaine SCHEMBL21647391 0.75 LMNA (0.75) LMNACYP1A2CYP3A4TSHRCYP2C9
Lisadimate SCHEMBL62520 0.73 ADRB2 (0.66) ADRB2ADRB1ADRB3LMNACYP1A2
Lisadimate SCHEMBL7263680 0.73 LMNA (0.71) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL5935394 0.72 ADRB2 (0.68) ADRB2ADRB1ADRB3LMNACYP1A2
SCHEMBL2742156 0.71 ADRB2 (0.63) ADRB2ADRB1ADRB3LMNACYP1A2

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-7744778-B2 Polymeric surfactant for high dielectric polymer composites, method of preparing the same and high dielectric polymer composite comprising the same SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2010-06-29 — — US disclosed
US-20080186653-A1 Surfactant interpolymer of polyoxyethylene methacrylate, hexyl methacrylate, and glycidyl methacrylate reacted with N-methylaniline; head of the polymer is chemically bonded to conductive carbon black, carbon nanotubes or nanowires, carbon fibers, or graphite and the tail is oriented toward the polymer SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2008-08-07 — — US disclosed
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