SCHEMBL31332579

SCHEMBL31332579

CCCCc1coc2cc(O)c(OC)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ RAB9A P51151 4/20 0.53
▸ KLK7 P49862 1/20 0.53
▸ ADORA2A P29274 3/20 0.45
▸ PTGS2 P35354 1/20 0.44
▸ PDE10A Q9Y233 3/20 0.43
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42
▸ TUBB8 Q3ZCM7 1/20 0.42
▸ TUBA3E Q6PEY2 1/20 0.42
▸ TUBA1A Q71U36 1/20 0.42
▸ TUBA1C Q9BQE3 1/20 0.42

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
SCHEMBL31120328 0.92 HDAC6 (0.56) HDAC6PTPN1PPARGRAB9AKLK7
SCHEMBL6865892 0.76 PDE10A (0.43) HDAC6RAB9APDE10ANPC1MAPT
SCHEMBL1441804 0.76 PDE10A (0.43) HDAC6RAB9APDE10ANPC1MAPT
SCHEMBL6866175 0.75 DRD2 (0.53) MEN1ALDH1A1KMT2A
SCHEMBL15397112 0.75 ADORA2A (0.49) RAB9AADORA2APDE10ANPC1MAPT
SCHEMBL15697886 0.75 ADORA2A (0.58) RAB9AADORA2AMAPTKDM4EPOLB
SCHEMBL18222923 0.72 ALDH1A1 (0.56) HDAC6PPARGRAB9ANPC1MAPT
SCHEMBL31120345 0.72 PDE10A (0.44) RAB9AADORA2APDE10ANPC1MAPT
SCHEMBL18825571 0.71 HDAC6 (0.70) HDAC6PTPN1PPARGRAB9AKLK7
Glycitein SCHEMBL7733712 0.70 HDAC6 (1.00) HDAC6PTPN1PPARGRAB9AKLK7

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
WO-2024233709-A2 FLUORINATED COPOLYMER BOTTLEBRUSHES FOR OPTICAL APPLICATIONS DUKE UNIVERSITY (US) 2024-11-14 — — WO disclosed
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