SCHEMBL24157900

SCHEMBL24157900

CN[C@@H](CCCCN(C)C)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PAOX Q6QHF9 1/20 0.37
▸ KDM4A O75164 12/20 0.36
▸ KDM4C Q9H3R0 12/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM7A Q6ZMT4 1/20 0.36
▸ PHF8 Q9UPP1 1/20 0.36
▸ KDM2A Q9Y2K7 1/20 0.36
▸ USP2 O75604 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ DNM1 Q05193 1/20 0.32

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
SCHEMBL19381471 1.00 ALDH1A1 (0.37) ALDH1A1TSHRPAOXKDM4AKDM4C
SCHEMBL18373090 0.87 ALDH1A1 (0.36) ALDH1A1TSHRPAOXKDM4AKDM4C
SCHEMBL19958158 0.86 PAOX (0.32) PAOX
SCHEMBL20732425 0.85 KDM4A (0.40) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL805213 0.85 KDM4A (0.40) ALDH1A1TSHRKDM4AKDM4CKDM5A
SCHEMBL23253774 0.83 — —
SCHEMBL26541398 0.81 PAOX (0.40) ALDH1A1PAOXKDM4CKDM5A
SCHEMBL16560405 0.81 S1PR2 (0.30) —
SCHEMBL19293312 0.80 AOC3 (0.30) —
SCHEMBL14819876 0.78 GPR84 (0.42) —

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
EP-3981780-A1 ALPHA-V BETA-6 INTEGRIN LIGANDS AND USES THEREOF Arrowhead Pharmaceuticals, Inc. (US) 2022-04-13 — — EP disclosed
EP-3535397-B1 ALPHA-V BETA-6 INTEGRIN LIGANDS AND USES THEREOF ARROWHEAD PHARMACEUTICALS INC (US) 2022-01-05 — — EP disclosed
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