SCHEMBL20487598

SCHEMBL20487598

C[C@H](C(=O)OCc1ccccc1)C1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 3/20 0.48
ALOX15 P16050 1/20 0.47
TACR1 P25103 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
GPR119 Q8TDV5 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ATM Q13315 1/20 0.45
YAP1 P46937 1/20 0.45
STS P08842 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
NTSR1 P30989 1/20 0.43

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
SCHEMBL22893592 1.00 TSHR (0.49) TSHRMEN1KMT2AMAPTALOX15
SCHEMBL31397027 0.91 MEN1 (0.49) TSHRMEN1KMT2AMAPTALOX15
SCHEMBL23460540 0.88 OPRD1 (0.48) TSHRMEN1KMT2AMAPTALOX15
SCHEMBL3498595 0.82 TACR1 (0.49) TSHRMEN1KMT2AALOX15TACR1
SCHEMBL30121349 0.82 MEN1 (0.54) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL13130080 0.81 TACR1 (0.50) TSHRMEN1KMT2AALOX15TACR1
SCHEMBL31566574 0.81 CCR1 (0.48) TSHRMEN1KMT2AMAPTALOX15
SCHEMBL22893595 0.81 GPR119 (0.46) TSHRALOX15TACR1OPRD1OPRK1
SCHEMBL20487576 0.81 GPR119 (0.46) TSHRALOX15TACR1OPRD1OPRK1
SCHEMBL3492937 0.81 MEN1 (0.51) TSHRMEN1KMT2AALOX15TACR1

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-2018160522-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN Lazuli, Inc. (US) 2018-09-07 WO disclosed