SCHEMBL8924327

SCHEMBL8924327

COC(=O)c1cccc(CCCSc2c(O)c3c(Cl)cc(Cl)cc3[nH]c2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
DHODH Q02127 2/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GART P22102 1/20 0.39
PARP1 P09874 1/20 0.38
LOXL2 Q9Y4K0 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
SCHEMBL8923576 0.91 CYP4A11 (0.40) CYP4F2CYP4A11
SCHEMBL8922650 0.89 MRGPRX4 (0.43) GART
SCHEMBL8924304 0.83 GRIN1 (0.46)
SCHEMBL8923061 0.82 GRIN1 (0.44)
SCHEMBL8921234 0.81 GRIN2D (0.42)
SCHEMBL8921936 0.79 GRIN2D (0.44)
SCHEMBL8921159 0.77 GRIN2D (0.42)
SCHEMBL8922553 0.77 GRIN2D (0.44)
SCHEMBL8919961 0.77 GRIN1 (0.44)
SCHEMBL8924322 0.74 GRIN2D (0.43)

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US claimed
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed