SCHEMBL3399797

SCHEMBL3399797

CC[C@@H](C)c1ccc([C@H](C)CC)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
ALDH1A1 P00352 3/20 0.59
USP2 O75604 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TSHR P16473 1/20 0.59
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
RORC P51449 1/20 0.49
BCHE P06276 1/20 0.41
TYR P14679 1/20 0.41
ACHE P22303 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
ADRB2 P07550 1/20 0.40
PTGS2 P35354 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL29663703 1.00 GAA (0.59) GAAALDH1A1USP2PKMHPGD
SCHEMBL14154101 1.00 GAA (0.59) GAAALDH1A1USP2PKMHPGD
SCHEMBL93071 1.00 GAA (0.59) GAAALDH1A1USP2PKMHPGD
SCHEMBL16736608 0.90 GAA (0.58) GAAALDH1A1USP2PKMHPGD
SCHEMBL16736849 0.90 TSHR (0.57) GAAALDH1A1USP2PKMHPGD
SCHEMBL487428 0.86 GAA (0.67) GAAALDH1A1USP2PKMHPGD
SCHEMBL339877 0.83 GAA (0.63) GAAALDH1A1USP2PKMHPGD
SCHEMBL683547 0.83 HSD17B10 (0.69) GAAALDH1A1USP2PKMHPGD
SCHEMBL3152462 0.82 GAA (0.62) GAAALDH1A1USP2PKMHPGD
SCHEMBL9336626 0.82 TSHR (0.72) GAAALDH1A1USP2PKMHPGD

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-2301908-B1 (-)-stereoisomer of 2,6-di-sec-butylphenol and analogs thereof for promoting antiemetic effect, treatment of nausea and vomiting and treatment of migraine SIGNATURE THERAPEUTICS INC (US) 2014-06-25 EP disclosed
EP-2146946-B1 (-)- stereoisomer of 2,6-di-sec-butylphenol and analogs thereof PHARMACOFORE INC (US) 2010-11-10 EP disclosed