SCHEMBL30940341

SCHEMBL30940341

CC(C)(C)c1cc(-c2cccc3[nH]nnc23)c(O)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
CA2 P00918 1/20 0.34
PTPN5 P54829 1/20 0.33
GRM4 Q14833 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
NR2F2 P24468 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL3274433 1.00 HSP90AA1 (0.44) HSP90AA1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL29617965 1.00 HSP90AA1 (0.44) HSP90AA1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL29017738 0.97 HSP90AA1 (0.42) HSP90AA1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL30426548 0.97 HSP90AA1 (0.42) HSP90AA1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL10432050 0.90 MEN1 (0.34) HSP90AA1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL28957322 0.90 GABRA1 (0.34) HSP90AA1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL5070152 0.87 CA2 (0.44) CYP2C9CYP2C19CYP1A2CA2PTPN5
SCHEMBL31282273 0.87 CA2 (0.44) CYP2C9CYP2C19CYP1A2CA2PTPN5
SCHEMBL3193122 0.86 CYP2C19 (0.34) HSP90AA1CYP3A4CYP2C9CYP2C19GRM4
SCHEMBL7143644 0.85 CA2 (0.47) TSHRCA2PTPN5

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
CN-118363270-A Negative photosensitive resin composition, method for producing cured relief pattern, and semiconductor device 旭化成株式会社 2024-07-19 CN disclosed