SCHEMBL9547764

SCHEMBL9547764

COC(C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
CYP2C19 P33261 1/20 0.55
PTGS2 P35354 1/20 0.55
SLC6A3 Q01959 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ALOX5 P09917 1/20 0.54
MAOB P27338 4/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
MAOA P21397 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
BCHE P06276 2/20 0.52

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
SCHEMBL9547773 0.95 ACACB (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL17602191 0.92 ALOX5 (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL17602195 0.90 ALOX5 (0.49) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL17602193 0.86 MAPT (0.65) GAAMAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL8639154 0.84 LMNA (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL683554 0.84 RXRA (0.66) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2032112 0.83 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL824976 0.83 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2023883 0.82 LMNA (0.58) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6204242 0.81 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19

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
EP-0288297-B1 OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed
US-4985590-A Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-15 US disclosed
EP-0288297-A2 Optically active benzene derivatives and process for preparation thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-10-26 EP disclosed