SCHEMBL25443708

SCHEMBL25443708

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.55
▸ LMNA P02545 2/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ HTR1A P08908 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ HDAC1 Q13547 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CNR1 P21554 2/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL25443707 0.99 MAPT (0.53) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL25443706 0.99 MAPT (0.53) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL25443709 0.96 MAPT (0.52) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL25443710 0.91 ALDH1A1 (0.48) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL25444056 0.88 MAPT (0.55) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL25443730 0.86 MAPT (0.53) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL25444068 0.85 MAPT (0.52) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL25444057 0.85 MAPT (0.52) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL25443727 0.85 MAPT (0.52) MAPTLMNANPSR1HTR1AHTR7
SCHEMBL25443711 0.83 POLB (0.55) MAPTLMNAALDH1A1GAASMN1; SMN2

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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