SCHEMBL8695331

SCHEMBL8695331

Cc1cccc(C(=O)O)c1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
POLB P06746 1/20 0.47
GPR119 Q8TDV5 2/20 0.47
ALDH1A1 P00352 4/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
LMNA P02545 2/20 0.46
TP53 P04637 1/20 0.46
BACE1 P56817 1/20 0.44
MAPK8 P45983 1/20 0.44
PTPN11 Q06124 1/20 0.43

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
SCHEMBL8701721 0.83 MAPT (0.53) MAPTPOLBGPR119ALDH1A1CKS1B
SCHEMBL31220479 0.82 ALDH1A1 (0.56) MAPTPOLBGPR119ALDH1A1CKS1B
SCHEMBL110679 0.81 GPR119 (0.54) MAPTPOLBGPR119ALDH1A1CKS1B
SCHEMBL7356261 0.81 GPR119 (0.69) GPR119
SCHEMBL13537760 0.81 MAPT (0.46) MAPTPOLBGPR119ALDH1A1CKS1B
SCHEMBL30998109 0.80 TTR (0.53) MAPTPOLBGPR119ALDH1A1CKS1B
SCHEMBL20516457 0.80 POLB (0.53) MAPTPOLBGPR119ALDH1A1CKS1B
SCHEMBL671742 0.80 TTR (0.53) MAPTPOLBGPR119ALDH1A1CKS1B
SCHEMBL25003007 0.79 MAPT (0.72) MAPTALDH1A1LMNATP53
SCHEMBL3436307 0.78 AKR1C3 (0.57) MAPTGPR119ALDH1A1CKS1BSKP1

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-5780480-A THROMBOLYTIC AGENTS, ANTICOAGULANTS MERCK & CO., INC. (US) 1998-07-14 US disclosed