SCHEMBL29017103

SCHEMBL29017103

CCc1cc(C(C)C)c(O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 6/20 0.44
GSR P00390 1/20 0.41
ALOX15 P16050 2/20 0.41
ALOX12 P18054 2/20 0.41
FBP1 P09467 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ESR1 P03372 1/20 0.40
PDK1 Q15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL5083291 0.84 GPR35 (0.61) GPR35ALOX15ALOX12FBP1ALDH1A1
SCHEMBL12776819 0.80 GPR35 (0.56) GPR35ALOX15ALOX12ALDH1A1MEN1
SCHEMBL2854879 0.78 GSR (0.61) GSRMAPTCYP1A2HPGDMAPK1
SCHEMBL26521898 0.78 GABRA1 (0.53) GPR35ALOX15ALOX12ALDH1A1MEN1
SCHEMBL11974263 0.78 GPR35 (0.69) GPR35ALOX15ALOX12ALDH1A1MEN1
SCHEMBL4970067 0.78 GPR35 (0.61) GPR35ALOX15ALOX12FBP1ALDH1A1
SCHEMBL5082940 0.78 GPR35 (0.61) GPR35ALOX15ALOX12ALDH1A1MEN1
SCHEMBL29438512 0.78 GPR35 (0.61) GPR35ALOX15ALOX12ALDH1A1MEN1
SCHEMBL8371489 0.77 GPR35 (0.49) GPR35ALOX15ALOX12ALDH1A1MEN1
SCHEMBL4891230 0.77 GABRA1 (0.60) GPR35ALOX15ALOX12ALDH1A1MEN1

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-116075424-A Polybenzoxazole, polyamide solution, insulating material for high-frequency electronic parts, high-frequency device, insulating material for high-frequency electronic parts production, process for producing polyamide, process for producing polybenzoxazole, process for producing insulating material for high-frequency electronic parts, and diamine or salt thereof 中央硝子株式会社 2023-05-05 CN disclosed