SCHEMBL8008073

SCHEMBL8008073

Cc1cc2ccccc2c(OP(O)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
CYP2A6 P11509 3/20 0.40
TSHR P16473 1/20 0.37
ERN1 O75460 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 2/20 0.36
GPR84 Q9NQS5 1/20 0.34
KDM4E B2RXH2 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPM4 Q8TD43 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 2/20 0.33
NQO2 P16083 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP1B1 Q16678 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 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
SCHEMBL8008072 0.86 CYP1A2 (0.42) CYP1A2CYP2A6TSHRERN1ALDH1A1
SCHEMBL19970467 0.81 GPR84 (0.44) CYP1A2CYP2A6TSHRERN1ALDH1A1
SCHEMBL11813964 0.78 ALDH1A1 (0.48) CYP1A2CYP2A6TSHRERN1ALDH1A1
SCHEMBL8956102 0.75 ALDH1A1 (0.34) CYP1A2CYP2A6TSHRERN1ALDH1A1
SCHEMBL293600 0.72 CYP1A2 (0.40) CYP1A2CYP2A6TSHRERN1ALDH1A1
Methyl Alcohol SCHEMBL28159335 0.71 CYP1A2 (0.52) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL459684 0.71 CYP1A2 (0.56) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL30364741 0.70 TRPM4 (0.50) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL50068 0.70 TRPM4 (0.50) CYP1A2CYP2A6TSHRALDH1A1HSD17B10
SCHEMBL10630661 0.69 CYP1A2 (0.54) CYP1A2CYP2A6TSHRALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115605374-B Condition monitoring of heat transfer fluid for electrical systems 埃克森美孚技术与工程公司 2024-12-17 CN disclosed
EP-0157969-B2 Organo-borate compositions and their use in lubricants LUBRIZOL CORP (US) 2000-01-12 EP disclosed
US-5240624-A Reaction product of boric acid (ester) or boron trioxide or halide with condensation product of phemolic compound and aldehyde THE LUBRIZOL CORPORATION (US) 1993-08-31 US disclosed
EP-0157969-A1 Organo-borate compositions and their use in lubricants The Lubrizol Corporation (US) 1985-10-16 EP disclosed