SCHEMBL11544485

SCHEMBL11544485

CC(=CC(=O)O)c1ccc(Oc2ccc(Cl)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 7/20 0.46
FPR2 P25090 2/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
IGFBP3 P17936 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PTGER4 P35408 2/20 0.43
PTGER2 P43116 1/20 0.43
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ESR1 P03372 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL11540797 0.88 SCN9A (0.46) SCN9AFPR2LMNAL3MBTL1SMN1; SMN2
SCHEMBL11544501 0.87 FFAR1 (0.53) ESR1MRGPRX4
SCHEMBL11542488 0.87 HSPB1 (0.48) LMNASMN1; SMN2NR4A1NR4A2NR4A3
SCHEMBL11545459 0.84 F2 (0.43) SCN9AFPR2LMNAL3MBTL1SMN1; SMN2
SCHEMBL756150 0.84 MAPT (0.53) SCN9AFPR2LMNAL3MBTL1SMN1; SMN2
SCHEMBL11540799 0.81 SCN9A (0.45) SCN9AFPR2SMN1; SMN2IGFBP3PTGER4
SCHEMBL753409 0.76 SCN9A (0.44) SCN9AFPR2LMNAL3MBTL1SMN1; SMN2
SCHEMBL2544053 0.76 SCN9A (0.44) SCN9AFPR2LMNAL3MBTL1SMN1; SMN2
SCHEMBL6938875 0.75 NR4A1 (0.59) SMN1; SMN2NR4A1NR4A2NR4A3
SCHEMBL28428071 0.75 NR4A1 (0.59) SMN1; SMN2NR4A1NR4A2NR4A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 US disclosed