SCHEMBL28817685

SCHEMBL28817685

CCOc1ccccc1CCC(N)C(=O)OBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTR7 P34969 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ SLC1A5 Q15758 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ ATM Q13315 2/20 0.38

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
SCHEMBL28948523 0.86 L3MBTL1 (0.46) L3MBTL1MAPTNPSR1HTR7GLA
SCHEMBL28817673 0.85 SLC1A5 (0.51) L3MBTL1MAPTNPSR1GLASLC1A5
SCHEMBL4685285 0.73 L3MBTL1 (0.54) L3MBTL1MAPTNPSR1HTR7GLA
SCHEMBL7337861 0.73 PTGES (0.46) L3MBTL1GLASLC1A5KDM4EALDH1A1
SCHEMBL2211602 0.73 L3MBTL1 (0.53) L3MBTL1MAPTNPSR1GLAALDH1A1
SCHEMBL13957565 0.73 NOS3 (0.52) L3MBTL1MAPTNPSR1HTR7GLA
SCHEMBL10908977 0.71 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APOLBTDP1
SCHEMBL28948495 0.71 HPGD (0.44) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL16673226 0.71 CYP4F2 (0.67) L3MBTL1MAPTNPSR1GLAKDM4E
SCHEMBL28298040 0.71 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1HTR7GLA

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-114763312-B Method for inducing H halogenation in C-H on benzene ring or heterocycle through ultraviolet light 中国科学院大连化学物理研究所 2024-06-07 — — CN disclosed
CN-114763312-A Method for inducing H halogenation in C-H on benzene ring or heterocyclic ring by ultraviolet light 中国科学院大连化学物理研究所 2022-07-19 — — CN disclosed
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