SCHEMBL26238618

SCHEMBL26238618

Cc1cccc(N2CCN(C(C)(C)C(=O)NC(C)(C)CO)CC2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 5/20 0.50
▸ LMNA P02545 5/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ TSHR P16473 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTR2A P28223 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ SLC6A4 P31645 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ REV1 Q9UBZ9 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL26238519 0.90 MAPT (0.53) ALDH1A1MAPTLMNAKDM4EALOX15
SCHEMBL26238502 0.82 ALDH1A1 (0.55) ALDH1A1MAPTLMNAKDM4EALOX15
SCHEMBL26238620 0.81 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKDM4EALOX15
SCHEMBL26238518 0.81 ALDH1A1 (0.52) ALDH1A1MAPTLMNAKDM4EALOX15
SCHEMBL26238503 0.81 ALDH1A1 (0.53) ALDH1A1MAPTLMNAKDM4EALOX15
SCHEMBL26238505 0.80 LMNA (0.50) ALDH1A1MAPTLMNAKDM4EALOX15
SCHEMBL26238521 0.80 LMNA (0.56) ALDH1A1MAPTLMNAKDM4EALOX15
SCHEMBL25392645 0.79 RAB9A (0.60) ALDH1A1MAPTLMNAKDM4EALOX15
SCHEMBL25390175 0.79 ALDH1A1 (0.61) ALDH1A1MAPTLMNAKDM4EALOX15
SCHEMBL26238509 0.79 TSHR (0.60) ALDH1A1MAPTLMNAKDM4EALOX15

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
WO-2023172415-A1 SWEETENER COMPOSITIONS FIRMENICH INCORPORATED (US) 2023-09-14 — — WO disclosed
Send feedback