SCHEMBL7679127

SCHEMBL7679127

C=CCn1ccc2cccc(C(=O)O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
NPC1 O15118 7/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
MCL1 Q07820 1/20 0.38
BAD Q92934 1/20 0.38
RAB9A P51151 6/20 0.38
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER4 P35408 3/20 0.37
PTGDR Q13258 3/20 0.37
TBXA2R P21731 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGFR P43088 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
F2 P00734 2/20 0.35

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
SCHEMBL9236518 0.86 NR4A1 (0.40) KMT2ANR4A1NR4A2NR4A3MCL1
SCHEMBL22800155 0.81 MAPT (0.38) KMT2ANR4A1NR4A2NR4A3MCL1
SCHEMBL7686232 0.81 TSHR (0.46) KMT2ANPC1RAB9AMEN1HSD17B10
SCHEMBL25282089 0.77 KMT2A (0.45) KMT2ANPC1NR4A1NR4A2NR4A3
SCHEMBL7652408 0.77 NOTUM (0.56) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL1395936 0.74 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1POLB
SCHEMBL25010273 0.74 ADRA2A (0.46) KMT2ANPC1RAB9A
SCHEMBL987890 0.74 PTGER4 (0.51) PTGER4PTGDRTBXA2RPTGER1PTGFR
SCHEMBL13557126 0.74 MAPK1 (0.43) KMT2ANPC1NR4A1NR4A2NR4A3
SCHEMBL5056802 0.73 NPC1 (0.60) KMT2ANPC1RAB9AMEN1ALDH1A1

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-6362201-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS MERCK & CO., INC. 2002-03-26 US disclosed