SCHEMBL30138720

SCHEMBL30138720

OC1C=Cc2ccc3ccccc3c2C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2A6 P11509 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPRT1 P00492 1/20 0.35
CES1 P23141 1/20 0.35
CYP1A2 P05177 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
POLB P06746 2/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL637369 1.00 KDM4E (0.38) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL637370 1.00 KDM4E (0.38) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL637368 1.00 KDM4E (0.38) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL12537716 0.78 ALDH1A1 (0.41) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL29812276 0.75 ALDH1A1 (0.39) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28892106 0.74 ALDH1A1 (0.41) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL28632731 0.74 ALDH1A1 (0.41) KDM4EALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL5176388 0.74 CYP1A2 (0.37) KDM4EALDH1A1CYP2A6TSHRHSD17B10
Hydrochloric Acid SCHEMBL466225 0.73 CYP2A6 (0.33) KDM4EALDH1A1CYP2A6TSHRHSD17B10
Hydrochloric Acid SCHEMBL2356550 0.73 ALDH1A1 (0.39) KDM4EALDH1A1CYP2A6TSHRHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118483297-A Method and apparatus for analyte detection using electrochemical biosensors 雅培糖尿病护理公司 2024-08-13 CN disclosed
CN-110799651-B Method and apparatus for analyte detection using electrochemical biosensors 雅培糖尿病护理公司 2024-05-24 CN disclosed
CN-115484867-A Transducer, nanoparticle transducer apparatus and system, and related methods of use 华盛顿大学 2022-12-16 CN disclosed