SCHEMBL28699472

SCHEMBL28699472

O=C(c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(C(=O)C4CCC(C(=O)O)C(C(=O)O)C4)cc3)n2)cc1)C1CCC(C(=O)O)C(C(=O)O)C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.45
▸ ADORA2A P29274 4/20 0.45
▸ ADORA1 P30542 4/20 0.45
▸ CTRC Q99895 1/20 0.43
▸ DGAT1 O75907 3/20 0.43
▸ VCP P55072 5/20 0.42
▸ MCL1 Q07820 1/20 0.41
▸ MGLL Q99685 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL28700750 0.90 ADORA2A (0.42) ADORA3ADORA2AADORA1CTRCVCP
SCHEMBL28688794 0.77 MCL1 (0.47) ADORA3ADORA2AADORA1CTRCVCP
SCHEMBL31279997 0.74 NPC1 (0.62) MGLLMEN1KMT2A
SCHEMBL29564497 0.73 ADORA2A (0.39) ADORA3ADORA2AADORA1VCP
SCHEMBL11376012 0.73 KMO (0.56) DGAT1MEN1KMT2A
SCHEMBL11376004 0.73 KMO (0.56) DGAT1MEN1KMT2A
SCHEMBL8480344 0.73 CTRC (0.68) ADORA3ADORA1CTRCMCL1
Bicarbonate SCHEMBL11475794 0.73 NPC1 (0.61) MGLLMEN1KMT2A
SCHEMBL28692669 0.71 EPHX2 (0.41) ADORA3ADORA2AADORA1VCPMCL1
SCHEMBL14124762 0.70 DGAT1 (0.69) DGAT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113968971-B Preparation method of soluble and low-temperature rapid imidization polyimide film 富优特(山东)新材料科技有限公司 2022-05-27 — — CN claimed
CN-113968971-A Preparation method of soluble and low-temperature rapid imidization polyimide film 富优特(山东)新材料科技有限公司 2022-01-25 — — CN claimed
CN-113968971-B Preparation method of soluble and low-temperature rapid imidization polyimide film 富优特(山东)新材料科技有限公司 2022-05-27 — — CN disclosed
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