SCHEMBL28746316

SCHEMBL28746316

CC=C(CCCCCl)c1ccc(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ DAO P14920 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ HPGD P15428 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ACKR3 P25106 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6613707 0.79 GSK3B (0.41) GSK3BRXFP1GAANPSR1KDM4E
SCHEMBL6609447 0.77 GSK3B (0.66) GSK3BRXFP1GAANPSR1KDM4E
SCHEMBL27550027 0.75 IKBKB (0.47) KDM4EESR1ALDH1A1KMT2AHPGD
SCHEMBL27569714 0.74 RAB9A (0.46) KDM4EESR1ALDH1A1KMT2AHPGD
SCHEMBL6609187 0.71 GSK3B (0.68) GSK3BRXFP1GAANPSR1KDM4E
SCHEMBL2070109 0.67 GSK3B (0.72) GSK3BRXFP1GAANPSR1KDM4E
SCHEMBL28382588 0.63 GSK3B (0.58) GSK3BRXFP1GAANPSR1KDM4E
SCHEMBL3998532 0.62 GSK3B (1.00) GSK3BRXFP1GAANPSR1KDM4E
SCHEMBL1165071 0.62 GSK3B (0.56) GSK3BRXFP1GAANPSR1KDM4E
SCHEMBL15988673 0.61 GSK3B (0.73) GSK3BRXFP1GAANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1343206-A Cyclocompound FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-03 — — CN disclosed
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