SCHEMBL7220437

SCHEMBL7220437

CC(=O)OC1OC(=O)c2cc3cccc(C(=O)O)c3cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
HSD17B10 Q99714 3/20 0.37
SOS1 Q07889 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.35
TYMS P04818 1/20 0.35
ATM Q13315 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GPR35 Q9HC97 2/20 0.34

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
SCHEMBL7220449 0.82 POLB (0.35) KDM4EPOLBATMADORA3ADORA2A
SCHEMBL10916999 0.74 ALDH1A1 (0.56) HSD17B10KDM4EALDH1A1POLBTSHR
SCHEMBL14950486 0.72 POLB (0.56) HSD17B10KDM4EALDH1A1HPGDPOLB
SCHEMBL10310217 0.72 POLB (0.56) HSD17B10KDM4EALDH1A1HPGDPOLB
SCHEMBL10914209 0.72 POLB (0.38) KDM4EALDH1A1POLBATMTSHR
SCHEMBL10920007 0.71 ATM (0.39) HSD17B10KDM4EALDH1A1HPGDPOLB
SCHEMBL10917251 0.71 CYP1A1 (0.45) HSD17B10KDM4EALDH1A1HPGDPOLB
SCHEMBL10916878 0.71 KDM4E (0.40) HSD17B10KDM4EALDH1A1POLBATM
SCHEMBL10919523 0.70 POLB (0.37) ALDH1A1HPGDPOLBATMCA1
SCHEMBL10914651 0.70 CYP1A1 (0.39) HSD17B10KDM4EALDH1A1HPGDPOLB

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
US-6576766-B1 Competitive binding of phosphotyrosine-containing protein; veterinary medicine ARIAD PHARMACEUTICALS, INC. 2003-06-10 US disclosed