SCHEMBL30744771

SCHEMBL30744771

Cc1cnn(CC2CC2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
NOTUM Q6P988 1/20 0.42
CRHR1 P34998 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
P2RY14 Q15391 3/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.35
EED O75530 1/20 0.35
RBBP4 Q09028 1/20 0.35
SUZ12 Q15022 1/20 0.35
EZH2 Q15910 1/20 0.35
AEBP2 Q6ZN18 1/20 0.35
PDE10A Q9Y233 1/20 0.35
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGIR P43119 1/20 0.34

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
SCHEMBL24906260 0.92 LMNA (0.51) LMNANOTUMCRHR1ALDH1A1KDM4C
SCHEMBL30744746 0.86 MAPK1 (0.37) LMNANOTUMCRHR1PTGDR2ALDH1A1
SCHEMBL21806953 0.81 LMNA (0.39) LMNANOTUMALDH1A1P2RY14MAPT
SCHEMBL30744742 0.81 HDAC1 (0.39) LMNANOTUMCRHR1ALDH1A1L3MBTL1
SCHEMBL6494029 0.78 NPC1 (0.46) LMNAALDH1A1L3MBTL1MAPK1POLB
SCHEMBL18256013 0.75 CRHR1 (0.46) LMNANOTUMCRHR1ALDH1A1L3MBTL1
SCHEMBL24906225 0.74 LMNA (0.45) LMNAALDH1A1KDM4CP2RY14PTGS2
SCHEMBL24758136 0.74 LMNA (0.45) LMNAALDH1A1KDM4CP2RY14PTGS2
SCHEMBL24757280 0.73 LMNA (0.44) LMNAPTGDR2ALDH1A1KDM4CP2RY14
SCHEMBL23273712 0.73 HTT (0.44) LMNAALDH1A1L3MBTL1MAPTEED

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-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN claimed