SCHEMBL28547609

SCHEMBL28547609

CC(C)(C)c1ccc(OP(=O)(O)Oc2ccccc2)c(C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SRC P12931 1/20 0.42
GPR84 Q9NQS5 1/20 0.39
POLB P06746 1/20 0.38
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ANPEP P15144 2/20 0.35
LAP3 P28838 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL30526475 0.89 ALDH1A1 (0.44) ALDH1A1SRCGPR84POLBANPEP
SCHEMBL1819862 0.89 ALDH1A1 (0.44) ALDH1A1SRCGPR84POLBANPEP
SCHEMBL31684848 0.82 ALDH1A1 (0.48) ALDH1A1SRCGPR84POLBL3MBTL1
SCHEMBL6891159 0.82 ALDH1A1 (0.48) ALDH1A1SRCGPR84POLBL3MBTL1
SCHEMBL14718015 0.81 ALDH1A1 (0.42) ALDH1A1SRCGPR84POLBANPEP
SCHEMBL17491582 0.80 GPR84 (0.36) ALDH1A1SRCGPR84TDP1NPSR1
SCHEMBL1821429 0.80 INPPL1 (0.47) ALDH1A1SRC
SCHEMBL28539231 0.79 ALDH1A1 (0.43) ALDH1A1SRCGPR84POLBCYP2C19
SCHEMBL15352129 0.79 CA2 (0.39) ALDH1A1SRCGPR84TDP1NPSR1
SCHEMBL11556403 0.77 SRC (0.53) ALDH1A1SRCGPR84POLBTDP1

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-107429183-B Lubricating oil composition 出光兴产株式会社 2021-03-19 CN claimed