SCHEMBL9547746

SCHEMBL9547746

CCC(C)CO[C@@H](C)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.49
ALOX5 P09917 1/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
BCHE P06276 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CHRNB2 P17787 1/20 0.43

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
SCHEMBL9547748 1.00 FFAR1 (0.49) FFAR1ALOX5LMNACYP1A2PTGS1
SCHEMBL9547791 0.82 ALOX5 (0.49) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL19546248 0.81 FFAR1 (0.46) FFAR1LMNAMAPT
SCHEMBL9639286 0.81 FFAR1 (0.52) FFAR1LMNACYP1A2PTGS1SLC6A2
SCHEMBL9547745 0.79 ACACB (0.51) FFAR1ALOX5LMNACYP1A2PTGS1
SCHEMBL9547764 0.79 LMNA (0.55) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL28572476 0.79 BCHE (0.60) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL10053088 0.79 BCHE (0.60) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL9547776 0.78 MEN1 (0.48) ALOX5MAOBRAB9ASMN1; SMN2CHRNB2
SCHEMBL683554 0.76 RXRA (0.66) ALOX5LMNACYP1A2PTGS1SLC6A2

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 2 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