SCHEMBL11021971

SCHEMBL11021971

C=C(CCCC1CCCCC1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
EPHX1 P07099 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM5A P29375 3/20 0.38
PHF8 Q9UPP1 3/20 0.38
KDM2A Q9Y2K7 3/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM4A O75164 1/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FKBP1A P62942 2/20 0.38
METAP2 P50579 1/20 0.38
HSD11B1 P28845 1/20 0.37
MMP2 P08253 1/20 0.36
BMP1 P13497 1/20 0.36

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
SCHEMBL11020879 1.00 CYP1A2 (0.43) CYP1A2EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL11018589 1.00 CYP1A2 (0.43) CYP1A2EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL11024237 1.00 CYP1A2 (0.43) CYP1A2EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL11019910 0.98 CYP1A2 (0.40) CYP1A2EPHX1SMN1; SMN2NPC1RAB9A
SCHEMBL11023182 0.95 KDM5A (0.43) CYP1A2EPHX1SMN1; SMN2KDM5APHF8
SCHEMBL11023798 0.94 KDM5A (0.46) CYP1A2EPHX1SMN1; SMN2KDM5APHF8
SCHEMBL11021311 0.94 KDM5A (0.46) CYP1A2EPHX1SMN1; SMN2KDM5APHF8
SCHEMBL11020254 0.94 KDM5A (0.46) CYP1A2EPHX1SMN1; SMN2KDM5APHF8
SCHEMBL11021409 0.94 KDM5A (0.42) CYP1A2EPHX1SMN1; SMN2KDM5APHF8
SCHEMBL11023249 0.92 KDM5A (0.44) CYP1A2EPHX1KDM5APHF8KDM2A

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 4 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
WO-1982000822-A1 SUBSTITUTED OXIRANECARBOXYLIC ACIDS,THEIR PREPARATION AND THEIR USE AS MEDICAMENTS EISTETTER K 1982-03-18 WO 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