SCHEMBL26238508

SCHEMBL26238508

Cc1cccc(N2CCN(C(C)(C)C(=O)NC3CCCCC3)CC2)c1C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.69
▸ KDM4E B2RXH2 2/20 0.63
▸ TSHR P16473 4/20 0.57
▸ MAPT P10636 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ SIGMAR1 Q99720 1/20 0.53
▸ LMNA P02545 5/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.49
▸ PKM P14618 1/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ ALOX12 P18054 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
SCHEMBL25392645 0.94 RAB9A (0.60) RAB9AKDM4ETSHRMAPTMEN1
SCHEMBL26238514 0.83 TSHR (0.69) RAB9AKDM4ETSHRMAPTMEN1
SCHEMBL26238513 0.83 TSHR (0.69) RAB9AKDM4ETSHRMAPTMEN1
SCHEMBL26238510 0.82 TSHR (0.67) RAB9AKDM4ETSHRMAPTMEN1
SCHEMBL26238509 0.79 TSHR (0.60) RAB9AKDM4ETSHRMAPTMEN1
SCHEMBL26238502 0.78 ALDH1A1 (0.55) RAB9AKDM4ETSHRMAPTMEN1
SCHEMBL26238620 0.77 ALDH1A1 (0.52) KDM4ETSHRMAPTMEN1KMT2A
SCHEMBL26238518 0.77 ALDH1A1 (0.52) RAB9AKDM4ETSHRMAPTMEN1
SCHEMBL25390175 0.77 ALDH1A1 (0.61) RAB9AKDM4ETSHRMAPTMEN1
SCHEMBL26238626 0.76 HSD11B1 (0.45) RAB9AMEN1KMT2ANPSR1SIGMAR1

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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