SCHEMBL28688794

SCHEMBL28688794

O=C(O)C1CCC(Oc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(OC5CCC(C(=O)O)C(C(=O)O)C5)cc4)n3)cc2)CC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 7/20 0.47
▸ FFAR4 Q5NUL3 3/20 0.43
▸ ACSL1 P33121 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ VCP P55072 1/20 0.40
▸ CTRC Q99895 1/20 0.39
▸ CHEK2 O96017 1/20 0.39
▸ MMP3 P08254 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39

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
SCHEMBL28692669 0.89 EPHX2 (0.41) MCL1FFAR4ACSL1EPHX2VCP
SCHEMBL28699472 0.77 ADORA3 (0.45) MCL1VCPCTRCADORA3ADORA2A
SCHEMBL3457973 0.73 EPHX2 (0.44) FFAR4EPHX2MAP4K4
SCHEMBL5375025 0.72 NAAA (0.47) EPHX2MAP4K4CHEK2MMP3
SCHEMBL5375027 0.72 NAAA (0.47) EPHX2MAP4K4CHEK2MMP3
SCHEMBL5390747 0.72 NAAA (0.47) EPHX2MAP4K4CHEK2MMP3
SCHEMBL6573174 0.72 NAAA (0.47) EPHX2MAP4K4CHEK2MMP3
SCHEMBL28700750 0.72 ADORA2A (0.42) FFAR4VCPCTRCADORA3ADORA2A
SCHEMBL26857799 0.71 AKR1C3 (0.51) FFAR4ACSL1EPHX2
SCHEMBL6608784 0.70 NAAA (0.58) EPHX2MAP4K4MMP3

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 2 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
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