SCHEMBL7122223

SCHEMBL7122223

CCOC(=O)c1c(C=O)[nH]c(C(=O)O)c1CC

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.71
ALDH1A1 P00352 5/20 0.64
KMT2A Q03164 2/20 0.64
POLB P06746 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.46
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 2/20 0.45
MAPK1 P28482 1/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL7253205 0.91 IGF1R (0.80) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL4498917 0.87 IGF1R (0.54) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL13982876 0.85 ALDH1A1 (0.82) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL94996 0.83 IGF1R (1.00) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL4499070 0.83 RAB9A (0.54) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL172745 0.82 IGF1R (0.64) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL13919312 0.81 IGF1R (0.48) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL94970 0.81 IGF1R (0.70) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL25295408 0.78 SMN1; SMN2 (0.58) IGF1RALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL4193955 0.78 ALDH1A1 (0.62) IGF1RALDH1A1KMT2APOLBSMN1; SMN2

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