SCHEMBL25443711

SCHEMBL25443711

CC(C)CC(=O)N1CCN(c2ccc(C(=O)C(C)C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.55
▸ KDM4E B2RXH2 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ RAB9A P51151 1/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ DPP4 P27487 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45

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
SCHEMBL25443710 0.86 ALDH1A1 (0.48) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL25443709 0.84 MAPT (0.52) POLBRAB9AKMT2AMEN1ALDH1A1
SCHEMBL25443733 0.84 CYP2C9 (0.53) POLBKDM4ECYP2C9CYP2C19RAB9A
SCHEMBL2767991 0.84 ME2 (0.58) POLBKDM4ECYP2C9CYP2C19RAB9A
SCHEMBL25443708 0.83 MAPT (0.55) POLBRAB9AKMT2AMEN1ALDH1A1
SCHEMBL23544870 0.82 KDM4E (0.56) POLBKDM4ECYP2C9CYP2C19RAB9A
SCHEMBL14444869 0.82 KDM4E (0.75) KDM4ECYP2C9CYP2C19RAB9AKMT2A
SCHEMBL25443707 0.82 MAPT (0.53) POLBRAB9AKMT2AMEN1ALDH1A1
SCHEMBL25443706 0.82 MAPT (0.53) POLBRAB9AKMT2AMEN1ALDH1A1
SCHEMBL21955417 0.82 KMT2A (0.54) POLBKDM4ECYP2C9CYP2C19RAB9A

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
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
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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