SCHEMBL19657617

SCHEMBL19657617

Cc1ccc2c(c1)CN(C(=O)OC(C)(C)C)CCO2

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.64
CREBBP Q92793 1/20 0.51
ESR2 Q92731 1/20 0.49
NR1H2 P55055 1/20 0.48
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
PIK3CA P42336 1/20 0.40
USP30 Q70CQ3 1/20 0.40
SCD5 Q86SK9 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
SCHEMBL30405260 0.86 RIPK1 (0.48) RIPK1CREBBPESR2NR1H2MAPK1
SCHEMBL13765601 0.86 RIPK1 (0.48) RIPK1CREBBPESR2NR1H2MAPK1
SCHEMBL856288 0.86 RIPK1 (0.48) RIPK1CREBBPESR2NR1H2MAPK1
SCHEMBL3762084 0.85 RIPK1 (0.47) RIPK1ESR2NR1H2MAPK1USP2
SCHEMBL2727759 0.85 RIPK1 (0.47) RIPK1ESR2NR1H2MAPK1USP2
SCHEMBL22993336 0.84 RIPK1 (0.49) RIPK1CREBBPESR2NR1H2MAPK1
SCHEMBL855880 0.84 RIPK1 (0.47) RIPK1CREBBPESR2NR1H2MAPK1
SCHEMBL3761090 0.84 RIPK1 (0.47) RIPK1CREBBPESR2NR1H2MAPK1
SCHEMBL29388824 0.84 RIPK1 (0.49) RIPK1CREBBPESR2NR1H2MAPK1
SCHEMBL2987643 0.83 RIPK1 (0.55) RIPK1ESR2NR1H2MAPK1USP2

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-2017205536-A2 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 WO disclosed