SCHEMBL11564622

SCHEMBL11564622

COC(=O)C(Br)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
MMP9 P14780 4/20 0.39
MMP2 P08253 3/20 0.39
MMP14 P50281 3/20 0.39
PTGS2 P35354 1/20 0.39
MMP13 P45452 3/20 0.38
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 2/20 0.38
MMP1 P03956 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38

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
SCHEMBL1550706 0.92 ENPP2 (0.42) LMNAAKR1C3AKR1C2MEN1KMT2A
SCHEMBL1565875 0.81 MAPK1 (0.51) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL11562437 0.80 FNTA (0.45) ALDH1A1MMP9MMP2MMP14MMP1
SCHEMBL184992 0.78 CA12 (0.40) SMN1; SMN2ALDH1A1MMP13MMP1KMT2A
SCHEMBL11566175 0.78 KMT2A (0.52) LMNASMN1; SMN2HTTPOLBPTGS2
SCHEMBL11562352 0.78 MAPT (0.45) LMNASMN1; SMN2HTTALDH1A1MAPK1
SCHEMBL378101 0.77 KMT2A (0.49) SMN1; SMN2HTTALDH1A1MEN1KMT2A
SCHEMBL11567634 0.77 EPHX2 (0.44) MMP9MMP2PTGS2MMP13MMP1
SCHEMBL11568045 0.77 PTGS2 (0.44) MMP9MMP2PTGS2MMP13MMP1
SCHEMBL11564487 0.77 MAPT (0.51) LMNAHTTALDH1A1POLBMMP2

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-4168385-A LOWERING OF STEROL AND TRIGLYCERIDE SERUM LEVELS AMERICAN CYANAMID COMPANY (US) 1979-09-18 US disclosed
US-4125729-A Hypolipemic α-aryloxy para substituted phenyl acetic acid compounds AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed