SCHEMBL9330158

SCHEMBL9330158

CC(=O)N(CC(O)COc1cccc2ccccc12)C(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR2E1 Q9Y466 5/20 0.59
▸ CYP1A2 P05177 4/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ ADRB2 P07550 4/20 0.56
▸ ADRB1 P08588 4/20 0.56
▸ SIGMAR1 Q99720 4/20 0.56
▸ CYP2D6 P10635 4/20 0.56
▸ ABCB1 P08183 4/20 0.56
▸ SLC6A4 P31645 3/20 0.56
▸ HTR2B P41595 3/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ ADRB3 P13945 3/20 0.56
▸ HTR2A P28223 3/20 0.56
▸ HTR2C P28335 3/20 0.56
▸ HTR6 P50406 3/20 0.56
▸ SCN1A P35498 2/20 0.56
▸ SLC10A1 Q14973 2/20 0.56

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
SCHEMBL13955536 0.89 NR2E1 (0.58) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL17310385 0.86 NR2E1 (0.54) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL10358158 0.85 NR2E1 (0.51) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL10619044 0.85 NR2E1 (0.53) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL9332855 0.84 NR2E1 (0.46) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL11745913 0.84 NR2E1 (0.64) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL11552294 0.83 NR2E1 (0.66) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL10336594 0.83 NR2E1 (0.69) NR2E1CYP1A2KDM4EMEN1CYP2C19
Chloromethane SCHEMBL11748462 0.82 NR2E1 (0.61) NR2E1CYP1A2KDM4EMEN1CYP2C19
Iodomethane SCHEMBL11745775 0.82 NR2E1 (0.61) NR2E1CYP1A2KDM4EMEN1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587823-A1 USING THE IMMUNOACTIVATING ACTIVITY OF 3-NAPHTHYLOXY-2-HYDROXY-PROPYLAMINES, IN PARTICULAR FOR PROVIDING CELL IMMUNITY, E.G. AGAINST VIRAL INFECTIONS PEUSCHEL, Karin, Elisabeth (CH) 1994-03-23 — — EP disclosed
WO-1993013049-A1 USING THE IMMUNOACTIVATING ACTIVITY OF 3-NAPHTHYLOXY-2-HYDROXY-PROPYLAMINES, IN PARTICULAR FOR PROVIDING CELL IMMUNITY, E.G. AGAINST VIRAL INFECTIONS PEUSCHEL KARIN ELISABETH (CH) 1993-07-08 — — WO disclosed
US-4391980-A FOR INVERSION OF CONFIGURATION OF OPTICALLY ACTIVE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1983-07-05 — — US disclosed
EP-0007605-B1 A PROCESS FOR INVERTING THE CONFIGURATION IN OPTICALLY ACTIVE COMPOUNDS AND OPTICALLY ACTIVE INTERMEDIATE COMPOUNDS AND THEIR SALTS REQUIRED THEREFOR CIBA-GEIGY AG (CH) 1982-09-15 — — EP disclosed
US-4294966-A SALT FORMATION CIBA-GEIGY CORPORATION (US) 1981-10-13 — — US disclosed
EP-0007605-A1 A process for inverting the configuration in optically active compounds and optically active intermediate compounds and their salts required therefor CIBA-GEIGY AG (CH) 1980-02-06 — — EP disclosed
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