Sugi Predict

Sugi Predict / Compounds / SCHEMBL11068141

SCHEMBL11068141

SCHEMBL11068141

COC(=O)C1(CCCOCCCC2CCCCCC2)CO1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 4/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ NAAA Q02083 8/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL11072205 0.95 NAAA (0.36) FKBP1AEPHX1NAAASMN1; SMN2NPC1
SCHEMBL11070035 0.95 NAAA (0.36) FKBP1AEPHX1NAAASMN1; SMN2NPC1
SCHEMBL11079388 0.93 EPHX1 (0.41) FKBP1AEPHX1NAAA
SCHEMBL11079057 0.91 EPHX1 (0.44) FKBP1AEPHX1NAAA
SCHEMBL11070610 0.91 EPHX1 (0.44) FKBP1AEPHX1NAAA
SCHEMBL11078952 0.90 FKBP1A (0.36) FKBP1AEPHX1NAAASMN1; SMN2NPC1
SCHEMBL11070926 0.90 EPHX1 (0.41) FKBP1AEPHX1NAAANPC1RAB9A
SCHEMBL11076567 0.90 EPHX1 (0.41) FKBP1AEPHX1NAAANPC1RAB9A
SCHEMBL11073629 0.90 EPHX1 (0.41) FKBP1AEPHX1NAAANPC1RAB9A
SCHEMBL11074335 0.90 ABCB11 (0.38) FKBP1AEPHX1NAAASMN1; SMN2

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
US-4430339-A PROPHYLAXIS, METABOLISM, GLUCOSE, FATS, HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-02-07 — — US disclosed