SCHEMBL8894571

SCHEMBL8894571

CCC(C)[C@@H](C(=O)C(C)(O)C(=O)O)N(C)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL8895198 0.87 AKT1 (0.39) RIPK1MEN1KMT2AADRA2BADRA2C
SCHEMBL18522814 0.83 LMNA (0.51) RIPK1MEN1KMT2AADRA2BADRA2C
SCHEMBL5564818 0.83 LMNA (0.51) RIPK1MEN1KMT2AADRA2BADRA2C
SCHEMBL7781713 0.83 LMNA (0.51) RIPK1MEN1KMT2AADRA2BADRA2C
SCHEMBL5564821 0.83 LMNA (0.51) RIPK1MEN1KMT2AADRA2BADRA2C
SCHEMBL3050394 0.82 MEN1 (0.49) RIPK1MEN1KMT2AADRA2BADRA2C
SCHEMBL8894809 0.81 MEN1 (0.35) RIPK1MEN1KMT2AADRA2BADRA2C
SCHEMBL8895723 0.80 MEN1 (0.34) RIPK1MEN1KMT2AADRA2BADRA2C
SCHEMBL8713431 0.77 MMP1 (0.44) RIPK1MEN1KMT2AADRA2BADRA2C
SCHEMBL22957214 0.77 MEN1 (0.47) MEN1KMT2AADRA2BADRA2CSLC6A2

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
US-5624897-A PARASITICIDES, NEMATOSIDES OF CYCLIC PEPTIDE LACTONES FOR VETERINARY MEDICINE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed