SCHEMBL9858372

SCHEMBL9858372

OCC1=CC=CC(O)C1O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
CYP3A4 P08684 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
SCHEMBL9858369 1.00 MGAM (0.35) MGAMSICYP3A4
SCHEMBL9858368 1.00 MGAM (0.35) MGAMSICYP3A4
SCHEMBL9114861 0.82
SCHEMBL9143771 0.79
SCHEMBL14390244 0.79
SCHEMBL17036627 0.76
SCHEMBL8767596 0.74 AKR1B1 (0.31)
SCHEMBL14993757 0.71 KEAP1 (0.35)
SCHEMBL4872030 0.68
SCHEMBL172436 0.67

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
US-5036009-A Biochemical process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-07-30 US disclosed
US-4508822-A Biochemical process IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-04-02 US disclosed
EP-0076606-A1 Biochemical process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 EP disclosed