SCHEMBL9033558

SCHEMBL9033558

C/C(=C\C(=O)O)C[C@@H]1OC[C@H](C/C=C/[C@H](C)[C@H](C)O)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
IARS1 P41252 1/20 0.44

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
SCHEMBL14616862 0.82 IARS1 (0.69) HTR2AIARS1
SCHEMBL974341 0.82 IARS1 (0.69) HTR2AIARS1
SCHEMBL938093 0.76 HTR2A (0.69) HTR2AIARS1
SCHEMBL9043584 0.76 HTR2A (0.69) HTR2AIARS1
SCHEMBL31185688 0.76 HTR2A (0.69) HTR2AIARS1
SCHEMBL15308683 0.76 HTR2A (0.69) HTR2AIARS1
SCHEMBL9041284 0.69 MAOA (0.33)
SCHEMBL11060862 0.66 HTR2A (0.64) HTR2AIARS1
SCHEMBL11104808 0.66 HTR2A (0.64) HTR2AIARS1
SCHEMBL11238117 0.65 HTR2A (0.71) HTR2AIARS1

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
EP-0712405-A1 DERIVATIVES OF MONIC ACIDS A AND C HAVING ANTIBACTERIAL, ANTIMYCOPLASMATICAL, ANTIFUNGAL AND HERBICIDAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1996-05-22 EP disclosed
WO-1995005384-A1 DERIVATIVES OF MONIC ACIDS A AND C HAVING ANTIBACTERIAL, ANTIMYCOPLASMATICAL, ANTIFUNGAL AND HERBICIDAL ACTIVITY SMITHKLINE BEECHAM PLC (GB) 1995-02-23 WO disclosed