SCHEMBL11019093

SCHEMBL11019093

BrCCCC1CCCCCC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
SIGMAR1 Q99720 4/20 0.52
EPHX1 P07099 1/20 0.36
HPGD P15428 1/20 0.34
KDM5A P29375 2/20 0.34
PHF8 Q9UPP1 2/20 0.34
KDM2A Q9Y2K7 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM4A O75164 1/20 0.34
CEL P19835 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
SCHEMBL11023325 1.00 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1HPGDKDM5A
SCHEMBL11021457 1.00 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1HPGDKDM5A
SCHEMBL80082 1.00 CYP1A2 (0.56) CYP1A2SIGMAR1EPHX1HPGDKDM5A
Bromide SCHEMBL19330051 0.97 CYP1A2 (0.54) CYP1A2SIGMAR1EPHX1HPGDKDM5A
SCHEMBL3691804 0.97
SCHEMBL11154618 0.92 SIGMAR1 (0.56) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL79050 0.92 SIGMAR1 (0.56) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL19922821 0.92
SCHEMBL12375433 0.91 CYP1A2 (0.48) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL7619522 0.90 SIGMAR1 (0.60) CYP1A2SIGMAR1EPHX1KDM5APHF8

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
EP-0046961-B1 EPOXY-CYCLOALKYLALKANECARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1985-02-13 EP disclosed
US-4430339-A PROPHYLAXIS, METABOLISM, GLUCOSE, FATS, HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-02-07 US disclosed
EP-0046961-A1 Epoxy-cycloalkylalkanecarboxylic acids, process for their preparation, their use and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-10 EP disclosed