SCHEMBL4017101

SCHEMBL4017101

CCOC(=O)Oc1c(CC)nc(-c2ccc(C)cc2)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
TNKS2 Q9H2K2 6/20 0.41
TNKS O95271 5/20 0.41
PARP1 P09874 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
WNT3A P56704 1/20 0.37
GUSB P08236 1/20 0.37
TARBP2 Q15633 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36

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
SCHEMBL4008624 0.90 USP2 (0.41) TSHRHSD17B10USP2MAPK1KDM4E
SCHEMBL4010739 0.81 SIRT2 (0.45) TSHRHSD17B10USP2MAPK1TNKS2
SCHEMBL8042850 0.80 ALDH1A1 (0.47) TSHRHSD17B10USP2MAPK1KDM4E
SCHEMBL4007745 0.78 SIRT2 (0.48) TSHRHSD17B10USP2MAPK1KDM4E
SCHEMBL4007817 0.74 SIRT2 (0.45) TSHRHSD17B10USP2MAPK1ALDH1A1
SCHEMBL4011132 0.74 DHPS (0.41) MAPK1ALDH1A1GAARAB9AMAPT
SCHEMBL4009335 0.72 ALDH1A1 (0.38) TSHRMAPK1KDM4EALDH1A1HPGD
SCHEMBL8036853 0.71 SIRT2 (0.54) TSHRHSD17B10USP2MAPK1ALDH1A1
SCHEMBL4014162 0.70 TSHR (0.38) TSHRMAPK1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8676878 0.65 POLB (0.64) TSHRHSD17B10USP2MAPK1KDM4E

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-2009080242-A1 SUBSTITUTED 4-AMINOPYRIMIDINE-5-CARBOXYLIC ACID AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed