SCHEMBL9639286

SCHEMBL9639286

CCC(C)COc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
LMNA P02545 2/20 0.50
GSTP1 P09211 2/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ACACB O00763 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAOB P27338 4/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ENPP3 O14638 1/20 0.48

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
SCHEMBL8688015 0.86 SIGMAR1 (0.56) FFAR1LMNAGSTP1CYP1A2PTGS1
SCHEMBL10705795 0.85 FFAR1 (0.53) FFAR1LMNACYP2C19MAPTRAB9A
SCHEMBL10705801 0.85 FFAR1 (0.53) FFAR1LMNACYP2C19MAPTRAB9A
SCHEMBL8537143 0.83 KMT2A (0.52) FFAR1LMNASLC6A2SLC6A3L3MBTL1
SCHEMBL8537137 0.83 KMT2A (0.52) FFAR1LMNASLC6A2SLC6A3L3MBTL1
SCHEMBL9484001 0.83 MAPT (0.59) FFAR1LMNAACACBL3MBTL1MAOB
SCHEMBL6937283 0.82 MMP12 (0.54) FFAR1LMNAACACBL3MBTL1MAOB
SCHEMBL9639807 0.82 MAOB (0.56) FFAR1LMNAHIF1AL3MBTL1MAOB
SCHEMBL2500159 0.81 FFAR1 (0.61) FFAR1LMNAPTGS1MAOA
SCHEMBL28294103 0.81 FFAR1 (0.61) FFAR1LMNAPTGS1MAOA

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
US-5166403-A Liquid crystals SHOWA DENKO K.K. (JP) 1992-11-24 US disclosed