SCHEMBL26648079

SCHEMBL26648079

O=CC[C@@H](CSc1ccccc1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.49
▸ MTNR1B P49286 4/20 0.49
▸ PLA2G10 O15496 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ PLA2G2A P14555 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL21179225 1.00 MTNR1A (0.49) MTNR1AMTNR1BPLA2G10FFAR1MAOA
SCHEMBL1743680 1.00 MTNR1A (0.49) MTNR1AMTNR1BPLA2G10FFAR1MAOA
SCHEMBL25711918 0.81 ATM (0.50) MTNR1AMTNR1BCYP3A4MAPTALDH1A1
SCHEMBL19014798 0.81 ATM (0.50) MTNR1AMTNR1BCYP3A4MAPTALDH1A1
SCHEMBL31467022 0.81 CTRB1 (0.52) —
SCHEMBL26648108 0.79 MTNR1A (0.50) MTNR1AMTNR1BPLA2G10FFAR1MAOA
SCHEMBL2951869 0.78 MTNR1A (0.51) MTNR1AMTNR1BPLA2G10FFAR1MAOA
SCHEMBL30857646 0.77 MTNR1A (0.38) MTNR1AMTNR1BPLA2G10FFAR1NPC1
SCHEMBL2950983 0.77 MTNR1A (0.51) MTNR1AMTNR1BPLA2G10FFAR1MAOA
SCHEMBL4901823 0.76 MTNR1A (0.50) MTNR1AMTNR1BPLA2G10FFAR1MAOA

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-2023220425-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-11-16 — — WO disclosed
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