SCHEMBL9329809

SCHEMBL9329809

CC(O)C(Br)Oc1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
NR2E1 Q9Y466 6/20 0.48
SLC6A4 P31645 5/20 0.46
ALDH1A1 P00352 5/20 0.46
CYP2D6 P10635 4/20 0.46
ADRB2 P07550 4/20 0.46
ADRB1 P08588 4/20 0.46
SIGMAR1 Q99720 4/20 0.46
HTR2B P41595 3/20 0.46
ADRB3 P13945 3/20 0.46
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR6 P50406 3/20 0.46
MAPK1 P28482 3/20 0.46
HTR1B P28222 3/20 0.46
HSD17B10 Q99714 3/20 0.46

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
SCHEMBL10530072 0.82 CYP1A2 (0.51) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL10339117 0.82 CYP1A2 (0.51) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL27613071 0.82 HTR1B (0.47) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL1356985 0.82 CYP1A2 (0.54) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL9332377 0.79 CYP1A2 (0.49) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL9330067 0.79 CYP1A2 (0.49) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL28340015 0.79 CYP1A2 (0.49) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL1356983 0.78 HTR1B (0.47) CYP1A2KDM4EMEN1CYP2C19KMT2A
Hydrochloric Acid SCHEMBL28293641 0.78 CYP1A2 (0.47) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL6831487 0.77 HTR1B (0.50) CYP1A2KDM4EMEN1CYP2C19KMT2A

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-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