SCHEMBL11074335

SCHEMBL11074335

COC(=O)C1(CCCCCOCCC2CCCCCC2)CO1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
NAAA Q02083 7/20 0.37
EPHX1 P07099 1/20 0.37
FKBP1A P62942 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 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
SCHEMBL11070035 0.95 NAAA (0.36) NAAAEPHX1FKBP1ASMN1; SMN2
SCHEMBL11072205 0.95 NAAA (0.36) NAAAEPHX1FKBP1ASMN1; SMN2
SCHEMBL11079388 0.91 EPHX1 (0.41) NAAAEPHX1FKBP1A
SCHEMBL11074544 0.91 ALDH1A1 (0.35) MAPTNAAAEPHX1FKBP1ASMN1; SMN2
SCHEMBL11068141 0.90 FKBP1A (0.39) NAAAEPHX1FKBP1ASMN1; SMN2
SCHEMBL11075681 0.89 SIGMAR1 (0.41) NAAAEPHX1
SCHEMBL11076593 0.89 SIGMAR1 (0.41) NAAAEPHX1
SCHEMBL11077308 0.89 SIGMAR1 (0.41) NAAAEPHX1
SCHEMBL11071161 0.89 SIGMAR1 (0.41) NAAAEPHX1
SCHEMBL11070610 0.88 EPHX1 (0.44) NAAAEPHX1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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