SCHEMBL29011329

SCHEMBL29011329

CC(=O)Nc1ccc(C(=O)OC(=O)CCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ KMT2A Q03164 6/20 0.50
▸ MAPT P10636 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ GAA P10253 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ PTPN1 P18031 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ PKM P14618 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
SCHEMBL4740216 0.82 TDP1 (0.61) ALDH1A1L3MBTL1KMT2AMAPTRAB9A
SCHEMBL10565889 0.81 ALDH1A1 (0.71) ALDH1A1L3MBTL1KMT2AMAPTRAB9A
SCHEMBL27327027 0.79 NPC1 (0.70) CYP2C9ALDH1A1L3MBTL1KMT2AMAPT
Acedoben SCHEMBL29011330 0.79 CYP2C9 (0.65) CYP2C9ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL11631684 0.79 L3MBTL1 (0.62) ALDH1A1L3MBTL1KMT2AMAPTRAB9A
SCHEMBL6567861 0.78 RAB9A (0.55) ALDH1A1L3MBTL1KMT2AMAPTRAB9A
SCHEMBL10961901 0.77 PTPN1 (0.70) CYP2C9ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL20691188 0.77 KMT2A (0.74) CYP2C9ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL10565877 0.77 KMT2A (0.60) ALDH1A1L3MBTL1KMT2AMAPTRAB9A
SCHEMBL393227 0.76 EPHX2 (0.56) CYP2C9ALDH1A1L3MBTL1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116209657-A 2-aminoindane compounds for mental disorders or enhancement 泰科根公司 2023-06-02 — — CN disclosed
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