SCHEMBL28494353

SCHEMBL28494353

COC(=O)N(C(C(=O)O)=C(C)C)C1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ GPR3 P46089 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FABP5 Q01469 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17456836 0.83 GPR3 (0.44) POLBGPR3KMT2AGAAHDAC3
SCHEMBL8999545 0.72 GPR3 (0.54) POLBGPR3KMT2AHDAC3HDAC4
SCHEMBL3044362 0.72 GPR3 (0.46) POLBGPR3KMT2AGAAHDAC3
SCHEMBL6502792 0.72 KMT2A (0.47) POLBGPR3KMT2AGAAHDAC3
SCHEMBL4603276 0.71 GPR3 (0.41) POLBGPR3KMT2AGAAHDAC3
SCHEMBL4600049 0.71 GPR3 (0.41) POLBGPR3KMT2AGAAHDAC3
SCHEMBL30510362 0.71 GPR3 (0.41) POLBGPR3KMT2AGAAHDAC3
SCHEMBL1830100 0.71 GPR3 (0.41) POLBGPR3KMT2AGAAHDAC3
SCHEMBL31355068 0.71 GPR3 (0.41) POLBGPR3KMT2AGAAHDAC3
SCHEMBL30510269 0.71 GPR3 (0.41) POLBGPR3KMT2AGAAHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112062693-A Synthetic method of 2- (9H-fluorene-9-methoxycarbonylamino) -3-methyl-2-butenoic acid 上海吉奉生物科技有限公司 2020-12-11 — — CN claimed
CN-112062693-A Synthetic method of 2- (9H-fluorene-9-methoxycarbonylamino) -3-methyl-2-butenoic acid 上海吉奉生物科技有限公司 2020-12-11 — — CN disclosed
CN-112062693-A Synthetic method of 2- (9H-fluorene-9-methoxycarbonylamino) -3-methyl-2-butenoic acid 上海吉奉生物科技有限公司 2020-12-11 — — CN disclosed
CN-112062693-A Synthetic method of 2- (9H-fluorene-9-methoxycarbonylamino) -3-methyl-2-butenoic acid 上海吉奉生物科技有限公司 2020-12-11 — — CN disclosed
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