SCHEMBL9545140

SCHEMBL9545140

CCOC(=O)C(N)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ATM Q13315 2/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CHRM2 P08172 2/20 0.44
CYP2D6 P10635 2/20 0.44
CHRM1 P11229 2/20 0.44
KCNH2 Q12809 2/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 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
Hydrochloric Acid SCHEMBL9241189 0.99 POLB (0.50) POLBATMKMT2AMEN1USP2
SCHEMBL28430986 0.85 POLB (0.53) POLBATMKMT2AMEN1USP2
SCHEMBL25301977 0.83 CYP1A2 (0.44) POLBKMT2AMEN1TSHRNPSR1
SCHEMBL30522607 0.83 CYP1A2 (0.44) POLBKMT2AMEN1TSHRNPSR1
SCHEMBL5552878 0.81 POLB (0.50) POLBATMKMT2AMEN1USP2
SCHEMBL9243385 0.81 TACR1 (0.45) KMT2AMEN1L3MBTL1TSHRSMN1; SMN2
SCHEMBL25854609 0.80 GAA (0.41) POLBATMKMT2AMEN1TSHR
SCHEMBL9246765 0.79 BCHE (0.47) KMT2AMEN1TSHRCYP1A2CYP2D6
SCHEMBL18816035 0.79 TACR1 (0.46) KMT2AMEN1L3MBTL1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL9241964 0.78 TACR1 (0.45) KMT2AMEN1L3MBTL1SMN1; SMN2KDM4E

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-1993021176-A1 NOVEL CYCLIC AMINO ACIDS AND DERIVATIVES THEREOF WARNER-LAMBERT COMPANY (US) 1993-10-28 WO disclosed