SCHEMBL8918752

SCHEMBL8918752

CCOC(=O)c1c(NCCC(=O)c2ccccc2Cc2ccccc2)c2ccc(Cl)cc2n1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.51
ALOX15 P16050 4/20 0.38
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MAPK8 P45983 3/20 0.36
MAPK9 P45984 2/20 0.36
P2RX3 P56373 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
SNCA P37840 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL8543997 0.89 MDM2 (0.43) MDM2ALOX15CRHBPCRHR2MAPT
SCHEMBL8541107 0.82 MDM2 (0.47) MDM2CRHBPCRHR2MAPTALDH1A1
SCHEMBL8545340 0.81 MDM2 (0.45) MDM2MAPK8MAPK9MAPTALDH1A1
SCHEMBL8540094 0.79 MDM2 (0.44) MDM2CRHBPCRHR2MAPTTHRB
SCHEMBL8544978 0.78 MDM2 (0.42) MDM2MAPTALDH1A1
SCHEMBL8545400 0.77 MDM2 (0.41) MDM2MAPTALDH1A1CYP1A2
SCHEMBL8538967 0.77 MDM2 (0.44) MDM2CRHBPCRHR2MAPTALDH1A1
SCHEMBL8547269 0.77 MDM2 (0.40) MDM2ALOX15CRHBPCRHR2MAPT
SCHEMBL8545030 0.76 ELANE (0.46) MDM2MAPTTHRBALDH1A1
SCHEMBL8543993 0.75 MDM2 (0.45) MDM2CRHBPCRHR2MAPTALDH1A1

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-5675018-A 3-amidoindolyl derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-10-07 US disclosed