Sugi Predict

Sugi Predict / Compounds / SCHEMBL13409383

SCHEMBL13409383

SCHEMBL13409383

CC(C)Oc1nccc2c1ccc1occc12

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.40
▸ HTR2A P28223 7/20 0.39
▸ HTR2C P28335 7/20 0.39
▸ HTR2B P41595 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ DRD1 P21728 10/20 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
SCHEMBL12463917 0.82 HTR2A (0.44) TRPA1HTR2AHTR2CHTR2BDRD1
SCHEMBL13409366 0.77 TRPA1 (0.39) TRPA1LRRK2
SCHEMBL8272979 0.76 HTR2C (0.38) TRPA1HTR2AHTR2CDRD1
SCHEMBL8276163 0.73 HTR2C (0.40) TRPA1HTR2AHTR2CDRD1
SCHEMBL12278144 0.71 PAX8 (0.45) HTR2AHTR2CHTR2B
SCHEMBL17426271 0.71 PAX8 (0.45) HTR2AHTR2CHTR2B
SCHEMBL15465932 0.71 PAX8 (0.45) HTR2AHTR2CHTR2B
SCHEMBL13409373 0.69 CYP1A2 (0.45) LRRK2
SCHEMBL8277931 0.69 HTR2C (0.45) TRPA1HTR2AHTR2CHTR2BDRD1
SCHEMBL13409342 0.69 PDE1B (0.39) TRPA1HTR2BLRRK2

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
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
US-7705146-B2 Hepatitis C inhibitor peptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-27 — — US disclosed
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