SCHEMBL25444057

SCHEMBL25444057

CCC(=O)c1ccc(N2CCN(C(=O)CCCCCCC(C)C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.52
▸ LMNA P02545 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ HDAC1 Q13547 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTR1A P08908 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ CNR1 P21554 2/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL25444068 1.00 MAPT (0.52) MAPTLMNANPSR1HDAC1GAA
SCHEMBL25444056 0.88 MAPT (0.55) MAPTLMNANPSR1HDAC1ALDH1A1
SCHEMBL25443707 0.87 MAPT (0.53) MAPTLMNANPSR1HDAC1GAA
SCHEMBL25443706 0.87 MAPT (0.53) MAPTLMNANPSR1HDAC1GAA
SCHEMBL25443708 0.85 MAPT (0.55) MAPTLMNANPSR1HDAC1GAA
SCHEMBL25443709 0.81 MAPT (0.52) MAPTLMNANPSR1HDAC1GAA
SCHEMBL8972662 0.77 GNAI3 (0.51) MAPTLMNANPSR1ALDH1A1MEN1
SCHEMBL25443710 0.76 ALDH1A1 (0.48) MAPTLMNANPSR1GAAPOLB
SCHEMBL25443727 0.76 MAPT (0.52) MAPTLMNANPSR1ALDH1A1HTR1A
SCHEMBL25443729 0.76 MAPT (0.52) MAPTLMNANPSR1ALDH1A1HTR1A

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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