SCHEMBL8569965

SCHEMBL8569965

COc1ccccc1OCc1nc2c(OC)ccc(CC(=O)O)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.44
ROCK2 O75116 1/20 0.43
LMNA P02545 1/20 0.42
RXRA P19793 1/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
STING1 Q86WV6 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP3 P42574 1/20 0.37

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
SCHEMBL8571583 0.91 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1POLBROCK2
SCHEMBL8574115 0.87 PDE4A (0.47) HSD17B10KDM4EGAASTING1ALDH1A1
SCHEMBL8571546 0.86 HSD17B10 (0.47) RAB9ASMN1; SMN2NPC1POLBROCK2
SCHEMBL2524512 0.85 HSD17B10 (0.42) RAB9ANPC1LMNAMEN1KMT2A
SCHEMBL1552751 0.84 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2NPC1POLBROCK2
SCHEMBL8574149 0.84 PDE4A (0.51) POLBHSD17B10STING1
SCHEMBL8574189 0.83 PDE4A (0.52) HSD17B10STING1HPGD
Hydrochloric Acid SCHEMBL8568583 0.83 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1POLBROCK2
SCHEMBL8570003 0.81 PDE4A (0.46) RAB9ANPC1POLBHPGD
SCHEMBL8568575 0.81 SMN1; SMN2 (0.49) RAB9ASMN1; SMN2NPC1POLBROCK2

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed