SCHEMBL8772474

SCHEMBL8772474

O=C1C[C@@H]([S@@+]([O-])c2ccccc2)N1CCCCCCc1ccc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CCR3 P51677 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 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
SCHEMBL8772392 0.83 PLAAT3 (0.46) POLBLMNAL3MBTL1PLAAT3PLAAT5
SCHEMBL8772509 0.81 TSHR (0.44) POLBSIGMAR1TDP1L3MBTL1MEN1
SCHEMBL8439618 0.77 GSK3A (0.43) CCR3SIGMAR1GSK3AGSK3BTDP1
SCHEMBL8109827 0.77 FAAH (0.43) CCR3SIGMAR1GSK3AGSK3BTDP1
SCHEMBL8549722 0.77 HRH3 (0.41) CCR3SIGMAR1
SCHEMBL8772475 0.76 FAAH (0.42) CCR3SIGMAR1GSK3AGSK3BTDP1
SCHEMBL8772552 0.75 KMT2A (0.41) POLBLMNAKMT2AALDH1A1
SCHEMBL8772402 0.74 HTR2A (0.43) SIGMAR1GSK3AGSK3BMEN1KMT2A
SCHEMBL8772398 0.74 GSK3A (0.39) CCR3SIGMAR1GSK3AGSK3BLMNA
SCHEMBL8772537 0.74 POLB (0.40) POLBCCR3SIGMAR1GSK3AGSK3B

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
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed