SCHEMBL28259969

SCHEMBL28259969

Cc1ccccc1OCC(=O)Nc1ccc(-c2cccc3c2C=CCC3)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ NOTUM Q6P988 1/20 0.55
▸ HTT P42858 1/20 0.54
▸ MAPT P10636 6/20 0.52
▸ CEPT1 Q9Y6K0 2/20 0.52
▸ CETP P11597 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.51
▸ LMNA P02545 2/20 0.50
▸ HPGD P15428 1/20 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
SCHEMBL28259972 0.86 NPC1 (0.47) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL28423745 0.80 LMNA (0.50) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL28391961 0.79 RAB9A (0.47) MEN1KMT2AHTTMAPTALDH1A1
SCHEMBL27972580 0.78 BCHE (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL27972608 0.77 KCNK3 (0.50) KMT2AMAPTALDH1A1KDM4ENPC1
SCHEMBL27972293 0.76 RAB9A (0.54) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL27972631 0.76 MAPT (0.51) MEN1KMT2AHTTMAPTNPC1
SCHEMBL27972550 0.76 GRM1 (0.43) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL27972283 0.76 MEN1 (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL27972318 0.75 PTPN1 (0.48) MEN1KMT2AMAPTALDH1A1NPC1

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-110483423-A P2X4 receptor antagonist NIPPON CHEMIPHAR CO 2019-11-22 — — CN disclosed
CN-108863959-A P2X4 RECEPTOR ANTAGONIST 日本化学药品株式会社 2018-11-23 — — CN disclosed
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