Sugi Predict

Sugi Predict / Compounds / SCHEMBL7550459

SCHEMBL7550459

SCHEMBL7550459

C=CC1CC(c2ccccc2)OC1(C)CCC(=C)C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TBXA2R P21731 1/20 0.32
▸ POLB P06746 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL7549783 0.84 KDM1A (0.38) POLBTSHR
SCHEMBL7548455 0.76 TSHR (0.38) TSHR
SCHEMBL7550415 0.72 TSHR (0.35) TSHR
SCHEMBL21954832 0.63 TSHR (0.41) TSHR
SCHEMBL7548681 0.63 SLC6A3 (0.37) ALDH1A1GAA
SCHEMBL5371551 0.61 TSHR (0.50) TBXA2RTSHR
SCHEMBL16377614 0.61 TSHR (0.50) TBXA2RTSHR
SCHEMBL7787343 0.61 TSHR (0.50) TBXA2RTSHR
SCHEMBL17548775 0.60 TSHR (0.48) TSHR
SCHEMBL18099899 0.59 HTR7 (0.36) TSHR

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
WO-2002051883-A1 SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS AVENTIS PHARMA S.A. (FR) 2002-07-04 — — WO claimed
WO-2002051883-A1 SYNTHESIS OF NOVEL HETEROCYCLIC MOLECULES OXYGENATED BY METATHESIS REACTION ON SOLID SUPPORT USING NOVEL SILYLATED LINKERS AVENTIS PHARMA S.A. (FR) 2002-07-04 — — WO disclosed