SCHEMBL11070035

SCHEMBL11070035

COC(=O)C1(CCCOCCC2CCCCCCCCCCC2)CO1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 6/20 0.36
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.34
FKBP1A P62942 2/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL11072205 1.00 NAAA (0.36) NAAAEPHX1SMN1; SMN2ALDH1A1FKBP1A
SCHEMBL11074335 0.95 ABCB11 (0.38) NAAAEPHX1SMN1; SMN2FKBP1A
SCHEMBL11068141 0.95 FKBP1A (0.39) NAAAEPHX1SMN1; SMN2FKBP1ANPC1
SCHEMBL11074544 0.93 ALDH1A1 (0.35) NAAAEPHX1SMN1; SMN2ALDH1A1FKBP1A
SCHEMBL11079388 0.91 EPHX1 (0.41) NAAAEPHX1FKBP1A
SCHEMBL11070610 0.88 EPHX1 (0.44) NAAAEPHX1FKBP1A
SCHEMBL11079057 0.88 EPHX1 (0.44) NAAAEPHX1FKBP1A
SCHEMBL11070926 0.87 EPHX1 (0.41) NAAAEPHX1FKBP1ANPC1RAB9A
SCHEMBL11076567 0.87 EPHX1 (0.41) NAAAEPHX1FKBP1ANPC1RAB9A
SCHEMBL11073629 0.87 EPHX1 (0.41) NAAAEPHX1FKBP1ANPC1RAB9A

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