SCHEMBL30074393

SCHEMBL30074393

CC(C)(C)OC(=O)CCOCCc1cccc(OCCOCCN=[N+]=[N-])c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 11/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ FFAR1 O14842 1/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL25496279 1.00 ABCG2 (0.41) ABCG2HDAC8ABCB1KDM4EFFAR1
SCHEMBL25496277 0.85 ABCG2 (0.47) ABCG2ABCB1KDM4EFFAR1
SCHEMBL30074414 0.85 ABCG2 (0.47) ABCG2ABCB1KDM4EFFAR1
SCHEMBL30074358 0.84 ABCG2 (0.42) ABCG2HDAC8ABCB1KDM4EFFAR1
SCHEMBL25496276 0.84 ABCG2 (0.42) ABCG2HDAC8ABCB1KDM4EFFAR1
SCHEMBL24894488 0.81 ABCG2 (0.40) ABCG2ABCB1KDM4EFFAR1EGFR
SCHEMBL24894486 0.80 CYP4F2 (0.51) FFAR1
SCHEMBL30074373 0.80 CYP4F2 (0.51) FFAR1
SCHEMBL24675190 0.80 KDM4E (0.42) KDM4EFFAR1
SCHEMBL13225835 0.79 HDAC1 (0.47) —

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
EP-4087584-A2 CELL SURFACE RECEPTOR BINDING COMPOUNDS AND CONJUGATES Lycia Therapeutics, Inc. (US) 2022-11-16 — — EP disclosed
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