SCHEMBL30227932

SCHEMBL30227932

C[C@H](C(=O)N1CCOCC1)N(C)c1ccc2c(-c3ccc(F)cc3Cl)cc(=O)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ PTGS2 P35354 1/20 0.40
▸ DPP4 P27487 2/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PIK3CB P42338 3/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CCNT1 O60563 2/20 0.36

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
SCHEMBL30228254 0.92 DPP4 (0.44) ALDH1A1HPGDKDM4EDPP4DPP7
SCHEMBL30228000 0.84 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EL3MBTL1KMT2A
SCHEMBL30228136 0.84 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EL3MBTL1KMT2A
SCHEMBL30227961 0.82 KDM4E (0.44) ALDH1A1HPGDKDM4EPTGS2DPP4
SCHEMBL30228101 0.80 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EL3MBTL1KMT2A
SCHEMBL30227944 0.80 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EL3MBTL1KMT2A
SCHEMBL30228256 0.77 MEN1 (0.49) ALDH1A1HPGDKDM4EL3MBTL1KMT2A
SCHEMBL30360867 0.75 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EPTGS2DPP4
SCHEMBL26504356 0.75 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EPTGS2DPP4
SCHEMBL20839474 0.74 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EPTGS2DPP4

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
WO-2023034346-A1 CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-03-09 — — WO disclosed
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