SCHEMBL28412302

SCHEMBL28412302

CC(CC(Cc1ccc(-c2ccccc2)cc1)N1C(=O)CCC1=O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 12/20 0.53
▸ ACE P12821 9/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ MMEL1 Q495T6 3/20 0.48

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
SCHEMBL28389111 1.00 MME (0.53) MMEACEALDH1A1PKMMMEL1
SCHEMBL598698 0.87 ALDH1A1 (0.43) MMEACEALDH1A1PKM
SCHEMBL22996235 0.87 ALDH1A1 (0.43) MMEACEALDH1A1PKM
SCHEMBL28390958 0.87 ALDH1A1 (0.43) MMEACEALDH1A1PKM
SCHEMBL1908585 0.87 ALDH1A1 (0.43) MMEACEALDH1A1PKM
SCHEMBL28632027 0.86 MME (0.54) MMEACEMMEL1
SCHEMBL28632025 0.86 MME (0.54) MMEACEMMEL1
SCHEMBL28389112 0.84 MME (0.50) MMEACEMMEL1
SCHEMBL16932206 0.78 ALDH1A1 (0.48) MMEALDH1A1PKM
SCHEMBL15521500 0.78 ALDH1A1 (0.48) MMEALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN claimed
CN-111265518-A Composition containing a mixture of biphenyl derivatives and uses thereof 黄泳华 2020-06-12 — — CN claimed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 — — CN claimed
CN-112641773-A Composition containing heterocyclic compound and use thereof 黄泳华 2021-04-13 — — CN disclosed
CN-111265518-A Composition containing a mixture of biphenyl derivatives and uses thereof 黄泳华 2020-06-12 — — CN disclosed
CN-111110854-A Composition comprising a histamine release-promoting substance and an inhibitory compound 黄泳华 2020-05-08 — — CN disclosed
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