SCHEMBL4574282

SCHEMBL4574282

CC(C)(C)OC(=O)N1CCCC(NC(=O)c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.60
TAS1R3 Q7RTX0 1/20 0.57
TAS1R1 Q7RTX1 1/20 0.57
TAS1R2 Q8TE23 1/20 0.57
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
MCHR1 Q99705 1/20 0.51
HDAC4 P56524 2/20 0.50
EPHX1 P07099 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ANO1 Q5XXA6 1/20 0.48
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GPR119 Q8TDV5 1/20 0.47

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
SCHEMBL1711950 0.85 ALDH1A1 (0.69) USP30ALDH1A1TSHRMCHR1MEN1
SCHEMBL8212410 0.82 CARM1 (0.57) USP30ALDH1A1MCHR1EPHX1GPR119
SCHEMBL29136109 0.82 USP30 (0.70) USP30ALDH1A1TSHRMCHR1HDAC4
SCHEMBL27633457 0.81 KMT2A (0.61) USP30ALDH1A1HDAC4MEN1KMT2A
SCHEMBL12853559 0.81 USP30 (0.58) USP30ALDH1A1TSHRHDAC4EPHX1
SCHEMBL14655065 0.81 HSD11B1 (0.63) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL3124262 0.81 USP30 (0.62) USP30ALDH1A1TSHRHDAC4EPHX1
SCHEMBL2957238 0.81 USP30 (0.54) USP30ALDH1A1TSHRHDAC4EPHX1
SCHEMBL2960402 0.81 MAPT (0.53) USP30ALDH1A1TSHRHPGDRAB9A
SCHEMBL2472926 0.80 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2ALDH1A1TSHR

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
WO-2008065500-A2 HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 WO disclosed