SCHEMBL31461241

SCHEMBL31461241

COc1cc(C(=O)COc2ccc3c(C)cc(=O)oc3c2)ccc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.67
▸ NPC1 O15118 5/20 0.66
▸ RAB9A P51151 5/20 0.64
▸ CASP3 P42574 2/20 0.64
▸ SENP8 Q96LD8 2/20 0.64
▸ SENP7 Q9BQF6 2/20 0.64
▸ SENP6 Q9GZR1 2/20 0.64
▸ MAOA P21397 1/20 0.64
▸ MAOB P27338 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ KMT2A Q03164 8/20 0.63
▸ MEN1 O00255 6/20 0.63
▸ KDR P35968 1/20 0.59
▸ HPGD P15428 5/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ RXFP1 Q9HBX9 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ GAA P10253 2/20 0.56
▸ OPRK1 P41145 1/20 0.56

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
SCHEMBL23850845 1.00 POLB (0.67) POLBNPC1RAB9ACASP3SENP8
SCHEMBL31461247 0.84 POLB (0.77) POLBNPC1RAB9ACASP3SENP8
SCHEMBL23850835 0.84 POLB (0.77) POLBNPC1RAB9ACASP3SENP8
SCHEMBL6320632 0.81 POLB (1.00) POLBNPC1RAB9ACASP3SENP8
SCHEMBL107774 0.80 MAOB (1.00) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL29382160 0.80 MAOB (1.00) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL29547560 0.77 NPC1 (0.76) POLBNPC1RAB9ACASP3SENP8
SCHEMBL23012727 0.77 NPC1 (0.76) POLBNPC1RAB9ACASP3SENP8
SCHEMBL23012450 0.75 MEN1 (0.74) POLBNPC1RAB9ACASP3SENP8
SCHEMBL29547915 0.75 MEN1 (0.74) POLBNPC1RAB9ACASP3SENP8

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-113347965-B TGF-beta inhibitors and prodrugs 生物医学研究机构基金会 2025-02-18 — — CN disclosed
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