SCHEMBL7696205

SCHEMBL7696205

CC(C)(C)c1cc(CC(C(=O)O)n2nc3ccccc3n2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.39
HSP90AB1 P08238 4/20 0.39
HSD17B10 Q99714 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
RECQL P46063 2/20 0.39
CYP2C9 P11712 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39
PTPN7 P35236 1/20 0.39
BLM P54132 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM6B O15054 1/20 0.38
SLC7A5 Q01650 2/20 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
SCHEMBL7689789 0.89 HDAC8 (0.39) HSP90AA1HSP90AB1KDM4EALDH1A1KDM6B
SCHEMBL8074200 0.88 NPC1 (0.38) HSP90AA1HSP90AB1TDP1POLBRECQL
SCHEMBL28861006 0.76 ALDH1A1 (0.42) HSP90AA1HSP90AB1HSD17B10TDP1KDM4E
SCHEMBL2836826 0.76 HSP90AA1 (0.38) HSP90AA1HSP90AB1HSD17B10TDP1POLB
SCHEMBL30891619 0.76 KDM6B (0.45) HSP90AA1HSP90AB1HSD17B10TDP1KDM4E
SCHEMBL9845237 0.76 KDM6B (0.45) HSP90AA1HSP90AB1HSD17B10TDP1POLB
SCHEMBL14856009 0.74 SLC7A5 (0.67) HSP90AA1HSP90AB1HSD17B10TDP1POLB
SCHEMBL7892985 0.74 SLC7A5 (0.67) HSP90AA1HSP90AB1HSD17B10TDP1POLB
SCHEMBL10656842 0.74 SLC7A5 (0.67) HSP90AA1HSP90AB1HSD17B10TDP1POLB
SCHEMBL7271971 0.74 KDM6B (0.44) HSP90AA1HSP90AB1HSD17B10TDP1POLB

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-2002079173-A1 BENZOTRIAZOLES AND THEIR USE AS UV LIGHT STABILISERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO claimed