SCHEMBL7119088

SCHEMBL7119088

CCOC(=O)c1c(C=O)[nH]c(C(=O)OC(C)(C)C)c1CCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.69
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
ALOX5 P09917 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 3/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL7119893 0.95 IGF1R (0.70) IGF1RKMT2AALDH1A1POLBALOX5
SCHEMBL7114812 0.90 IGF1R (0.73) IGF1RKMT2AALDH1A1POLBNPC1
SCHEMBL7120457 0.89 RAB9A (0.53) IGF1RKMT2AALDH1A1POLBALOX5
SCHEMBL94596 0.85 IGF1R (0.59) IGF1RKMT2AALDH1A1POLBNPC1
SCHEMBL7122278 0.84 RAB9A (0.54) IGF1RKMT2AALDH1A1POLBALOX5
SCHEMBL4205450 0.83 IGF1R (0.71) IGF1RKMT2AALDH1A1POLBNPC1
SCHEMBL94996 0.82 IGF1R (1.00) IGF1RKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL7121375 0.80 IGF1R (0.57) IGF1RKMT2AALDH1A1POLBNPC1
SCHEMBL3131054 0.77 ALDH1A1 (0.78) IGF1RKMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL7119100 0.76 RAB9A (0.59) IGF1RKMT2AALDH1A1POLBNPC1

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

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