SCHEMBL25443727

SCHEMBL25443727

CC(C)CCCCCCC(=O)N1CCN(c2cccc(C(=O)C(C)C)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ HTR1A P08908 5/20 0.46
▸ HTR7 P34969 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MMP2 P08253 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 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
SCHEMBL25443729 1.00 MAPT (0.52) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL25443730 0.99 MAPT (0.53) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL25443731 0.95 MAPT (0.51) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL25443732 0.91 MEN1 (0.50) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL25444164 0.89 MAPT (0.54) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL25443707 0.86 MAPT (0.53) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL25443706 0.86 MAPT (0.53) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL25443708 0.85 MAPT (0.55) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL25443741 0.84 MEN1 (0.39) MAPTNPSR1LMNASMN1; SMN2ALDH1A1
SCHEMBL25443733 0.83 CYP2C9 (0.53) MAPTLMNASMN1; SMN2ALDH1A1KDM4E

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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