SCHEMBL20487576

SCHEMBL20487576

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.46
YAP1 P46937 2/20 0.45
TACR1 P25103 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
TSHR P16473 2/20 0.44
STS P08842 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL22893595 1.00 GPR119 (0.46) GPR119YAP1TACR1OPRD1OPRK1
SCHEMBL20487581 0.81 JAK2 (0.46) GPR119TACR1OPRD1OPRK1TSHR
SCHEMBL20488330 0.81 JAK2 (0.46) GPR119TACR1OPRD1OPRK1TSHR
SCHEMBL22893592 0.81 TSHR (0.49) GPR119YAP1TACR1OPRD1OPRK1
SCHEMBL20487598 0.81 TSHR (0.49) GPR119YAP1TACR1OPRD1OPRK1
SCHEMBL23460540 0.80 OPRD1 (0.48) GPR119YAP1TACR1OPRD1OPRK1
SCHEMBL20487579 0.78 OPRM1 (0.49) TACR1ALDH1A1CYP1A2CYP2C9L3MBTL1
SCHEMBL3498595 0.77 TACR1 (0.49) GPR119YAP1TACR1OPRD1OPRK1
SCHEMBL1447994 0.77 TACR1 (0.55) TACR1OPRD1OPRK1ALDH1A1POLB
SCHEMBL30121349 0.76 MEN1 (0.54) GPR119TACR1OPRD1OPRK1STS

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