SCHEMBL14635869

SCHEMBL14635869

C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(C(C)(C)O)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.47
RORC P51449 1/20 0.46
GPR119 Q8TDV5 4/20 0.44
STS P08842 2/20 0.43
PDE4B Q07343 2/20 0.42
USP30 Q70CQ3 5/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 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
SCHEMBL14635868 1.00 TACR1 (0.47) TACR1RORCGPR119STSPDE4B
SCHEMBL18759246 0.84 GPR119 (0.55) TACR1RORCGPR119STSUSP30
SCHEMBL12354139 0.84 USP30 (0.55) TACR1RORCGPR119USP30JAK2
SCHEMBL3861809 0.83 NAMPT (0.52) GPR119STSPDE4BNPC1RAB9A
SCHEMBL18617599 0.83 TACR1 (0.48) TACR1RORCGPR119STSPDE4B
SCHEMBL14635683 0.82 USP30 (0.46) TACR1GPR119STSPDE4BUSP30
SCHEMBL14635682 0.82 USP30 (0.46) TACR1GPR119STSPDE4BUSP30
SCHEMBL528144 0.79 TACR1 (0.54) TACR1RORCGPR119STSUSP30
SCHEMBL16272063 0.78 GPR119 (0.57) TACR1GPR119USP30KDM4EMAPT
SCHEMBL19865015 0.78 PDE4B (0.57) TACR1RORCGPR119STSPDE4B

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-2013010453-A1 CHEMOKING RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 2013-01-24 WO disclosed