SCHEMBL5720198

SCHEMBL5720198

CCC(C)(C)c1ccc(S(N)(=O)=O)c(Oc2ccc(C(F)(F)F)cc2N)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
ATM Q13315 2/20 0.49
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.36
CFTR P13569 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP3 P42574 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 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
SCHEMBL8432586 0.83 L3MBTL1 (0.49) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL9118710 0.83 MAPT (0.53) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL8740742 0.81 MAPT (0.54) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL8077059 0.79 ALDH1A1 (0.51) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL11706565 0.78 MAPT (0.72) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL8077096 0.77 CFTR (0.57) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL8935331 0.74 L3MBTL1 (0.69) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL9241009 0.74 L3MBTL1 (0.46) L3MBTL1MAPTLMNAATMRAB9A
SCHEMBL9118572 0.73 NPC1 (0.42) MAPTLMNAATMRAB9ANPSR1
SCHEMBL5720192 0.73 L3MBTL1 (0.43) L3MBTL1MAPTLMNAATMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841910-A4 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2006-09-13 EP disclosed
EP-0841910-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1998-05-20 EP disclosed
WO-1997004765-A1 INHIBITION OF CoA-INDEPENDENT TRANSACYLASE AND APOPTOSIS SMITHKLINE BEECHAM CORPORATION (US) 1997-02-13 WO disclosed