SCHEMBL9856496

SCHEMBL9856496

CCC(C)Oc1ccc(O)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
APP P05067 2/20 0.39
AR P10275 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
SLC2A1 P11166 1/20 0.36
ESRRA P11474 1/20 0.36
ACACB O00763 2/20 0.36
EPHX2 P34913 2/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.35

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
SCHEMBL3719192 0.83 ALDH1A1 (0.43) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL25795098 0.83 GAA (0.48) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL13074919 0.83 HTR2A (0.42) HDAC8ACACBEPHX2FFAR4
SCHEMBL3720465 0.80 SMN1; SMN2 (0.46) HDAC1HDAC2HDAC8ARACACB
SCHEMBL11432548 0.80 ADRB2 (0.46) GAAHDAC1HDAC2HDAC8AR
SCHEMBL9856358 0.79 SHBG (0.46) HDAC1HDAC2HDAC8ACACBFFAR4
SCHEMBL5953654 0.77 MAPT (0.45) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL8633672 0.77 GAA (0.44) GAAXBP1ATMNPSR1L3MBTL1
SCHEMBL340041 0.76 HDAC1 (0.42) HDAC1HDAC2HDAC8ACACBFFAR4
SCHEMBL8301102 0.76 HDAC1 (0.43) GAAL3MBTL1HDAC1HDAC2HDAC8

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
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed