SCHEMBL11809581

SCHEMBL11809581

CC(C)(C)C(=O)c1ccc(COc2cccc(Cl)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.72
RXRB P28702 2/20 0.72
RXRG P48443 2/20 0.72
MAOB P27338 9/20 0.59
MAOA P21397 6/20 0.59
NR4A2 P43354 3/20 0.57
PKM P14618 1/20 0.54
NR4A1 P22736 1/20 0.53
NR4A3 Q92570 1/20 0.53
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
SMPD1 P17405 2/20 0.50
POLB P06746 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL694229 0.84 RXRA (1.00) RXRARXRBRXRGMAOBMAOA
SCHEMBL11807045 0.84 MAOB (0.70) RXRARXRBMAOBMAOANR4A2
SCHEMBL11810982 0.84 ALDH1A1 (0.60) RXRARXRBMAOBNR4A2NR4A1
SCHEMBL694037 0.83 RXRA (0.72) RXRARXRBRXRGMAOBMAOA
SCHEMBL11526892 0.81 NAAA (0.51) RXRARXRBRXRGMAOBMAOA
SCHEMBL28510237 0.79 RXRA (0.59) RXRARXRBRXRGMAOBMAOA
SCHEMBL27676289 0.79 RXRA (0.69) RXRARXRBRXRGMAOBMAOA
SCHEMBL365115 0.78 RXRA (0.64) RXRARXRBRXRGMAOBMAOA
SCHEMBL15189660 0.78 MAOB (0.69) RXRARXRBMAOBNR4A2NR4A1
Methyl Alcohol SCHEMBL27542849 0.77 RXRA (0.68) RXRARXRBRXRGMAOBMAOA

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-3978132-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1976-08-31 US claimed
US-3978132-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1976-08-31 US disclosed