SCHEMBL8439650

SCHEMBL8439650

C/C(=C\C(=O)O)CC/C=C(\C)CCC1OC1(C)C

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.63
KDM4E B2RXH2 1/20 0.54
ATM Q13315 1/20 0.54
KDM1A O60341 1/20 0.51

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
SCHEMBL6319655 1.00 LSS (0.63) LSSKDM4EATMKDM1A
SCHEMBL6319652 1.00 LSS (0.63) LSSKDM4EATMKDM1A
SCHEMBL8439651 1.00 LSS (0.63) LSSKDM4EATMKDM1A
SCHEMBL6514517 0.87 LSS (0.49) LSSKDM4EATMKDM1A
SCHEMBL6407449 0.87 LSS (0.49) LSSKDM4EATMKDM1A
SCHEMBL6514523 0.87 LSS (0.49) LSSKDM4EATMKDM1A
SCHEMBL6407451 0.87 LSS (0.49) LSSKDM4EATMKDM1A
SCHEMBL6407444 0.87 LSS (0.49) LSSKDM4EATMKDM1A
SCHEMBL11853332 0.87 LSS (0.66) LSS
SCHEMBL10565764 0.86 LSS (0.61) LSS

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990163-A HYDROXY, EPOXY AND/OR CARBOXY DERIVATIVES OF METHOPRENE; ANTITUMOR,-CARCINOGENIC AND -PROLIFERATIVE AGENTS; SKIN DISORDERS THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1999-11-23 US disclosed
US-4827004-A ANTIULCER AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-05-02 US disclosed
EP-0260551-A2 Isoprene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-03-23 EP disclosed