SCHEMBL29639813

SCHEMBL29639813

CC1(c2ccc(C(=O)C(N)=O)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.35
CES2 O00748 7/20 0.35
RXRA P19793 4/20 0.34
HNF4A P41235 1/20 0.32
CYP26A1 O43174 2/20 0.32
CYP26B1 Q9NR63 2/20 0.32
LMNA P02545 1/20 0.32
PDE2A O00408 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
RXRB P28702 1/20 0.31

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
SCHEMBL1702560 0.84 PARP10 (0.45) LMNACA1CA2
SCHEMBL15956227 0.78 TP53 (0.52) RXRACYP26A1CYP26B1CA12CA1
SCHEMBL18291832 0.78 MAPK1 (0.45) LMNA
SCHEMBL22712558 0.76 LMNA (0.46) LMNA
SCHEMBL15956007 0.73 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL12973676 0.73 HSD17B1 (0.53) LMNA
SCHEMBL14744167 0.73 PARP1 (0.44) CA1CA2
SCHEMBL12123651 0.72 ALDH1A1 (0.40) RXRA
SCHEMBL21581921 0.71 NOS3 (0.37) LMNAPDE2ACA1CA2
SCHEMBL12356799 0.71 RXRA (0.49) RXRACYP26A1CYP26B1RXRB

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
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN disclosed