SCHEMBL30836902

SCHEMBL30836902

CC1(C)Oc2cc(O)c(C3CC3)cc2C(=O)C1Br

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX12 P18054 1/20 0.30

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
SCHEMBL10859037 0.77 ALOX15 (0.38) KDM4EALDH1A1
SCHEMBL30836906 0.73 CGAS (0.33)
SCHEMBL17049752 0.73 KDM4E (0.51) KDM4EALDH1A1
SCHEMBL6017369 0.65 IDO1 (0.41) ALDH1A1
SCHEMBL27090080 0.64 CCNC (0.31)
SCHEMBL30809630 0.64 CCNC (0.31)
SCHEMBL30809632 0.62
SCHEMBL30809638 0.62
SCHEMBL27090081 0.62
SCHEMBL27090069 0.62

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
CN-117897386-A Benzopyran derivatives and uses thereof 斯帕克生物制药有限公司 2024-04-16 CN disclosed