SCHEMBL7682255

SCHEMBL7682255

Cc1[nH]c2ccccc2c1C1=C(c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)C=CC1=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.57
HKDC1 Q2TB90 1/20 0.57
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
PTGS2 P35354 9/20 0.52
PTPRC P08575 1/20 0.50
IMPDH2 P12268 1/20 0.48
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 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
SCHEMBL29094061 0.84 PTGS2 (0.55) CCR6HKDC1ESR1ESR2PTGS2
SCHEMBL9562597 0.84 PTPRC (0.59) CCR6HKDC1ESR1ESR2PTGS2
SCHEMBL6252574 0.83 PTGS2 (0.53) CCR6HKDC1ESR1ESR2PTGS2
SCHEMBL18392295 0.82 ESR1 (0.59) CCR6HKDC1ESR1ESR2PTGS2
SCHEMBL15797025 0.78 IMPDH2 (0.49) CCR6HKDC1ESR1ESR2PTGS2
SCHEMBL15797114 0.78 PRKCB (0.54) CCR6HKDC1ESR1ESR2PTGS2
SCHEMBL29094070 0.77 CCR6 (0.55) CCR6HKDC1IMPDH2GAA
SCHEMBL17383846 0.77 IMPDH2 (0.73) CCR6HKDC1ESR1ESR2PTGS2
SCHEMBL9572001 0.77 PTPRC (0.50) CCR6HKDC1ESR1ESR2PTGS2
SCHEMBL17210892 0.77 DDX3X (0.48) CCR6HKDC1ESR1ESR2PTGS2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376529-B1 INSULIN DISEASES; ANTIDIABETIC AGENTS SUGEN, INC. 2002-04-23 US disclosed