SCHEMBL9116337

SCHEMBL9116337

CCC(C)(C)c1ccc(Oc2ccccc2NC(=O)Nc2ccccc2)c(S(=O)(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 5/20 0.45
IDO1 P14902 3/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 1/20 0.41

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
SCHEMBL9118064 0.90 PTGES (0.50) LMNAKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9117910 0.89 PTGES (0.46) P2RY1LMNAPOLBGAACA12
SCHEMBL9119349 0.85 LMNA (0.54) LMNAPOLBGAAALDH1A1KMT2A
SCHEMBL9117246 0.84 RAF1 (0.52) P2RY1IDO1
SCHEMBL8432579 0.84 PTGES (0.58) LMNAGAACA12CA1CA2
SCHEMBL8433479 0.81 PTGES (0.49) LMNACA12CA1CA2CA9
SCHEMBL9118546 0.80 RAF1 (0.52) P2RY1GAAKMT2AMEN1MAPT
SCHEMBL9117651 0.78 HTT (0.56) LMNAPOLBGAAALDH1A1KMT2A
SCHEMBL9243116 0.77 IDH2 (0.46) P2RY1IDO1LMNAKMT2AMEN1
SCHEMBL8432745 0.76 PTGES (0.48) CA1CA2CA9

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
WO-1995033458-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO claimed
WO-1995033458-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed