SCHEMBL5677217

SCHEMBL5677217

COc1ccc(C(=O)C=Cc2ccccc2CC=C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.62
▸ MAPT P10636 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ TNFRSF1A P19438 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HSPD1 P10809 1/20 0.56
▸ HSPE1 P61604 1/20 0.56
▸ CYP1B1 Q16678 1/20 0.56
▸ PTGER4 P35408 1/20 0.55
▸ PTGER3 P43115 1/20 0.55
▸ PTGER2 P43116 1/20 0.55
▸ MCL1 Q07820 1/20 0.54
▸ PTPN1 P18031 5/20 0.53
▸ F3 P13726 1/20 0.52
▸ BCHE P06276 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52

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
SCHEMBL5677209 1.00 MAOB (0.62) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL9369351 0.87 NPC1 (0.52) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL29396289 0.87 NPC1 (0.52) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL3307087 0.87 NPC1 (0.52) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL25195900 0.80 CXCL12 (0.65) MAOBMAPTMEN1KMT2ATNFRSF1A
SCHEMBL5915740 0.79 MAOB (0.61) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL9852303 0.77 MAOB (0.74) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL5599177 0.77 MAOB (0.74) MAOBMAPTMEN1KMT2ALMNA
SCHEMBL3123182 0.77 PTGER3 (0.63) PTGER4PTGER3PTGER2NFKB1
SCHEMBL30739304 0.77 MAPT (0.45) MAOBMAPTMEN1KMT2ALMNA

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
EP-1623704-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-08 — — EP disclosed
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