SCHEMBL7996076

SCHEMBL7996076

CCCCC1CC(=Cc2ccc(OC)cc2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.62
DYRK1B Q9Y463 3/20 0.62
CLK1 P49759 2/20 0.62
MAPT P10636 2/20 0.48
GRM2 Q14416 2/20 0.46
CYP1A2 P05177 1/20 0.45
MAOB P27338 2/20 0.43
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
EGFR P00533 1/20 0.40
SERPINE1 P05121 1/20 0.40
HSP90AA1 P07900 1/20 0.39
CCR6 P51684 1/20 0.39
PRKCA P17252 1/20 0.38
PRKCE Q02156 1/20 0.38

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
SCHEMBL9257875 0.85 GRM2 (0.47) DYRK1ADYRK1BCLK1MAPTGRM2
SCHEMBL9257881 0.85 GRM2 (0.47) DYRK1ADYRK1BCLK1MAPTGRM2
SCHEMBL7992606 0.84 MAPT (0.50) DYRK1ADYRK1BCLK1MAPTCYP1A2
SCHEMBL7990444 0.82 ALDH1A1 (0.52) DYRK1ADYRK1BCLK1MAPTGRM2
SCHEMBL9252868 0.81 USP18 (0.48) DYRK1ADYRK1BCLK1MAPTMAOB
SCHEMBL9252871 0.81 USP18 (0.48) DYRK1ADYRK1BCLK1MAPTMAOB
SCHEMBL6059814 0.77 DYRK1A (1.00) DYRK1ADYRK1BCLK1MAPTCYP1A2
SCHEMBL9253106 0.72 GRM2 (0.39) GRM2CYP1A2PRKCA
SCHEMBL9261402 0.71 PRKCA (0.43) GRM2CYP1A2CCR6PRKCA
SCHEMBL9261410 0.71 PRKCA (0.43) GRM2CYP1A2CCR6PRKCA

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-6258963-B1 DRUGS, COSMETICS HAARMANN & REIMER GMBH (DE) 2001-07-10 US disclosed