Sugi Predict

Sugi Predict / Compounds / SCHEMBL9044462

SCHEMBL9044462

SCHEMBL9044462

[CH2]N1CCC(OCCOCC)CC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.37
▸ LIPG Q9Y5X9 1/20 0.36
▸ NPC1 O15118 1/20 0.33
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL9044467 0.82 NPC1 (0.38) EPHX2LIPGNPC1CYP2D6CYP2C19
SCHEMBL9035539 0.81 NPC1 (0.30) NPC1
SCHEMBL27888454 0.81 EPHX2 (0.46) EPHX2LIPGNPC1
SCHEMBL27364774 0.81 EPHX2 (0.37) EPHX2LIPGNPC1
SCHEMBL27381737 0.81 EPHX2 (0.40) EPHX2LIPGNPC1CYP2D6CYP2C19
SCHEMBL27013893 0.78 NPC1 (0.43) EPHX2NPC1CYP2D6CYP2C19
SCHEMBL27536365 0.77 EPHX2 (0.41) EPHX2LIPGNPC1
SCHEMBL11233022 0.75 NPC1 (0.47) EPHX2LIPGNPC1
SCHEMBL1291849 0.75 NPC1 (0.47) EPHX2LIPGNPC1
SCHEMBL7074067 0.75 NPC1 (0.47) EPHX2LIPGNPC1

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-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 — — EP disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 — — US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 — — EP disclosed