SCHEMBL25444272

SCHEMBL25444272

CC(C)CC(=O)N1CCN(c2cccc(C(=O)C(C)C)c2)C(O)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ POLB P06746 3/20 0.39
▸ ALDH1A1 P00352 6/20 0.39
▸ GAA P10253 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ATM Q13315 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
SCHEMBL25443733 0.81 CYP2C9 (0.53) LMNAKDM4ECYP2C9CYP2C19KMT2A
SCHEMBL25443748 0.76 P2RX7 (0.42) LMNAKDM4ECYP2C9CYP2C19KMT2A
SCHEMBL25443732 0.72 MEN1 (0.50) LMNAKDM4EKMT2AMEN1TSHR
SCHEMBL25443739 0.72 SLC9A1 (0.46) KDM4ECYP2C9CYP2C19KMT2AMEN1
SCHEMBL25443731 0.70 MAPT (0.51) LMNAKDM4EKMT2AMEN1TSHR
SCHEMBL25443730 0.70 MAPT (0.53) LMNAKDM4EKMT2AMEN1TSHR
SCHEMBL25443729 0.69 MAPT (0.52) LMNAKDM4EKMT2AMEN1TSHR
SCHEMBL25443727 0.69 MAPT (0.52) LMNAKDM4EKMT2AMEN1TSHR
SCHEMBL25443746 0.68 P2RX7 (0.40) CYP2C9CYP2C19KMT2AMEN1CYP2D6
SCHEMBL25443711 0.68 POLB (0.55) LMNAKDM4ECYP2C9CYP2C19KMT2A

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
US-20230146870-A1 METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS OHIO STATE INNOVATION FOUNDATION 2023-05-11 — — US disclosed
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