SCHEMBL7122278

SCHEMBL7122278

CCOC(=O)c1c(C)[nH]c(C(=O)OC(C)(C)C)c1CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
NPC1 O15118 5/20 0.54
KMT2A Q03164 1/20 0.54
IGF1R P08069 1/20 0.53
MAPK1 P28482 2/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 4/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7120457 0.94 RAB9A (0.53) RAB9ANPC1KMT2AIGF1RMAPK1
SCHEMBL7121375 0.89 IGF1R (0.57) RAB9ANPC1KMT2AIGF1RMAPK1
SCHEMBL7119893 0.89 IGF1R (0.70) RAB9ANPC1KMT2AIGF1RHPGD
SCHEMBL7119100 0.87 RAB9A (0.59) RAB9ANPC1KMT2AIGF1RMAPK1
SCHEMBL4203572 0.84 RAB9A (0.65) RAB9ANPC1KMT2AIGF1RMAPK1
SCHEMBL7119088 0.84 IGF1R (0.69) RAB9ANPC1KMT2AIGF1RHPGD
SCHEMBL7122759 0.81 IGF1R (0.76) IGF1RMAPK1HPGDALDH1A1HTT
SCHEMBL13574871 0.80 IGF1R (0.62) IGF1RMAPK1HPGDALDH1A1HTT
SCHEMBL7114812 0.80 IGF1R (0.73) RAB9ANPC1KMT2AIGF1RHPGD
SCHEMBL94596 0.77 IGF1R (0.59) RAB9ANPC1KMT2AIGF1RMAPK1

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
WO-2003035616-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed