SCHEMBL26238509

SCHEMBL26238509

Cc1cccc(N2CCN(C(C)(C)C(=O)NCC3CC3)CC2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.60
▸ LMNA P02545 4/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ ALDH1A1 P00352 3/20 0.49
▸ RAB9A P51151 1/20 0.48
▸ MAPT P10636 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ REV1 Q9UBZ9 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL26238510 0.95 TSHR (0.67) TSHRLMNAALOX15MAPK1NPC1
SCHEMBL26238514 0.94 TSHR (0.69) TSHRLMNAALOX15MAPK1NPC1
SCHEMBL26238513 0.94 TSHR (0.69) TSHRLMNAALOX15MAPK1NPC1
SCHEMBL26238502 0.85 ALDH1A1 (0.55) TSHRLMNAALOX15MAPK1NPC1
SCHEMBL26238620 0.84 ALDH1A1 (0.52) TSHRLMNAALOX15MAPK1NPC1
SCHEMBL26238518 0.84 ALDH1A1 (0.52) TSHRLMNAALOX15MAPK1NPC1
SCHEMBL26238503 0.83 ALDH1A1 (0.53) TSHRLMNAALOX15MAPK1NPC1
SCHEMBL26238505 0.82 LMNA (0.50) TSHRLMNAALOX15MAPK1NPC1
SCHEMBL25392645 0.82 RAB9A (0.60) TSHRLMNAALOX15MAPK1NPC1
SCHEMBL26238622 0.81 LMNA (0.48) TSHRLMNAALOX15MAPK1ALDH1A1

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
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