SCHEMBL10903625

SCHEMBL10903625

CCCCCC(=O)N(C(C)C(C)C(=O)O)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ EPHX2 P34913 2/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ KDM5A P29375 2/20 0.41
▸ KDM4C Q9H3R0 2/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ FFAR4 Q5NUL3 2/20 0.40
▸ FFAR1 O14842 2/20 0.40
▸ PHF8 Q9UPP1 1/20 0.40
▸ GPR84 Q9NQS5 7/20 0.39
▸ PPARG P37231 6/20 0.39
▸ PPARD Q03181 6/20 0.39
▸ PPARA Q07869 6/20 0.39
▸ HDAC11 Q96DB2 5/20 0.39
▸ TSHR P16473 4/20 0.39
▸ TLR2 O60603 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ FABP4 P15090 2/20 0.39
▸ PTPN1 P18031 2/20 0.39

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
SCHEMBL10905690 0.77 FFAR4 (0.49) ALDH1A1EPHX2AKR1B1KDM5AKDM4C
SCHEMBL29514460 0.75 GPR84 (0.47) ALDH1A1AKR1B1FFAR4FFAR1GPR84
SCHEMBL11227761 0.72 EPHX2 (0.48) ALDH1A1EPHX2FFAR4FFAR1GPR84
SCHEMBL1060018 0.71 GPR84 (0.47) ALDH1A1KDM5AKDM4CFFAR4FFAR1
SCHEMBL19326540 0.71 ALDH1A1 (0.45) ALDH1A1AKR1B1KDM5AKDM4CKDM5C
SCHEMBL190751 0.71 GPR84 (0.47) ALDH1A1KDM5AKDM4CFFAR4FFAR1
SCHEMBL190752 0.71 GPR84 (0.47) ALDH1A1KDM5AKDM4CFFAR4FFAR1
SCHEMBL5992733 0.71 GPR84 (0.47) ALDH1A1KDM5AKDM4CFFAR4FFAR1
SCHEMBL1962140 0.71 GPR84 (0.47) ALDH1A1KDM5AKDM4CFFAR4FFAR1
SCHEMBL19326538 0.71 ALDH1A1 (0.45) ALDH1A1AKR1B1KDM5AKDM4CKDM5C

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
US-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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