SCHEMBL7119100

SCHEMBL7119100

CCCc1c(C(=O)OC(C)(C)C)[nH]c(C)c1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
NPC1 O15118 6/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.57
ATM Q13315 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
STAT1 P42224 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
NR4A1 P22736 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
IGF1R P08069 1/20 0.46
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.42
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41

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
SCHEMBL4203572 0.92 RAB9A (0.65) RAB9ANPC1KMT2APOLBATM
SCHEMBL94596 0.89 IGF1R (0.59) RAB9ANPC1KMT2APOLBATM
SCHEMBL7122278 0.87 RAB9A (0.54) RAB9ANPC1KMT2APOLBATM
SCHEMBL7120457 0.86 RAB9A (0.53) RAB9ANPC1KMT2APOLBATM
SCHEMBL7121375 0.84 IGF1R (0.57) RAB9ANPC1KMT2APOLBATM
SCHEMBL3584691 0.82 RAB9A (0.56) RAB9ANPC1KMT2APOLBATM
SCHEMBL4205450 0.80 IGF1R (0.71) RAB9ANPC1KMT2APOLBATM
SCHEMBL12031702 0.78 RAB9A (0.81) RAB9ANPC1KMT2APOLBATM
SCHEMBL7119893 0.77 IGF1R (0.70) RAB9ANPC1KMT2APOLBSMN1; SMN2
SCHEMBL10619207 0.77 RAB9A (0.72) RAB9ANPC1KMT2APOLBATM

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