SCHEMBL20487581

SCHEMBL20487581

CCOC(=O)[C@@H](N(Cc1ccccc1)Cc1ccccc1)C1(O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TSHR P16473 3/20 0.45
ALOX15 P16050 1/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
GPR119 Q8TDV5 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
ATM Q13315 1/20 0.42
TACR1 P25103 1/20 0.42
STS P08842 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 2/20 0.40
CYP2C19 P33261 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
SCHEMBL20488330 1.00 JAK2 (0.46) JAK2JAK1TSHRALOX15OPRD1
SCHEMBL20487576 0.81 GPR119 (0.46) JAK2JAK1TSHRALOX15OPRD1
SCHEMBL22893595 0.81 GPR119 (0.46) JAK2JAK1TSHRALOX15OPRD1
SCHEMBL15565304 0.81 L3MBTL1 (0.48) SMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL22893643 0.79 OPRM1 (0.51) SMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL965515 0.77 LMNA (0.62) SMN1; SMN2ALDH1A1L3MBTL1GAA
SCHEMBL22893592 0.76 TSHR (0.49) TSHRALOX15OPRD1OPRK1GPR119
SCHEMBL20487598 0.76 TSHR (0.49) TSHRALOX15OPRD1OPRK1GPR119
SCHEMBL16101520 0.76 OPRD1 (0.48) JAK2JAK1TSHRALOX15OPRD1
SCHEMBL23460540 0.75 OPRD1 (0.48) TSHRALOX15OPRD1OPRK1GPR119

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