SCHEMBL27914585

SCHEMBL27914585

Bc1cccc(CCCCC(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ HDAC3 O15379 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ HDAC4 P56524 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ HDAC1 Q13547 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HDAC7 Q8WUI4 1/20 0.56
▸ HDAC2 Q92769 1/20 0.56
▸ HDAC10 Q969S8 1/20 0.56
▸ HDAC11 Q96DB2 1/20 0.56
▸ HDAC8 Q9BY41 1/20 0.56
▸ HDAC6 Q9UBN7 1/20 0.56
▸ HDAC9 Q9UKV0 1/20 0.56
▸ HDAC5 Q9UQL6 1/20 0.56
▸ TBXAS1 P24557 7/20 0.53
▸ CYP1A2 P05177 2/20 0.50
▸ LTB4R Q15722 4/20 0.49

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
SCHEMBL27932770 0.95 SMN1; SMN2 (0.63) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL10283887 0.87 KEAP1 (0.61) HDAC3MAPK1ADRA1AHDAC4SLC6A3
SCHEMBL1197247 0.85 MAPT (0.78) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL1205707 0.83 MAPT (0.62) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL1206928 0.81 MAPT (0.66) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL25342051 0.81 HDAC3 (0.76) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL1049248 0.81 HDAC6 (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL30303107 0.81 HDAC6 (0.67) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL23759882 0.80 SIGMAR1 (0.50) MAPTRXFP1HDAC1
SCHEMBL3249491 0.79 MAPT (0.62) MAPTRXFP1HDAC3MAPK1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566517-B Contact lens having a lubricious coating thereon 爱尔康公司 2023-11-10 — — CN claimed
CN-117270235-A Contact lens having a lubricious coating thereon 爱尔康公司 2023-12-22 — — CN disclosed
CN-111566517-B Contact lens having a lubricious coating thereon 爱尔康公司 2023-11-10 — — CN disclosed
CN-103261186-A Dimeric IAP inhibitors NOVARTIS AG 2013-08-21 — — CN disclosed
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