SCHEMBL8399348

SCHEMBL8399348

CCCOc1ccc(N(Cc2nc3ccc(F)c(F)c3s2)C(=O)CCC(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 3/20 0.39
LMNA P02545 6/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 2/20 0.36
HTT P42858 3/20 0.36
GAA P10253 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.35
PAX8 Q06710 1/20 0.35
DHODH Q02127 1/20 0.34

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
SCHEMBL8395387 0.91 SMN1; SMN2 (0.38) LTB4R2LMNAL3MBTL1TP53HTT
SCHEMBL8399251 0.89 TSHR (0.40) LTB4R2LMNATP53ALDH1A1MAPT
SCHEMBL8400120 0.87 LTB4R2 (0.37) LTB4R2L3MBTL1TP53
SCHEMBL8399217 0.86 LTB4R2 (0.42) LTB4R2LMNAL3MBTL1TP53HTT
SCHEMBL8399708 0.86 AKR1B1 (0.35) LTB4R2TP53KMT2AMAPT
SCHEMBL8400228 0.85 LTB4R2 (0.35) LTB4R2LMNATP53ALDH1A1MAPT
SCHEMBL8396212 0.85 LTB4R2 (0.39) LTB4R2LMNAL3MBTL1TP53HTT
SCHEMBL8396323 0.85 LDHA (0.35) LTB4R2
SCHEMBL8400725 0.85 AKR1B1 (0.42)
SCHEMBL8399344 0.85 HDAC6 (0.37) LTB4R2TP53

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-0647636-B1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF SENJU PHARMA CO (JP) 1999-06-09 EP disclosed
US-5532257-A ENZYME INHIBITOR SENJU PHARMACEUTICAL CO., LTD (JP) 1996-07-02 US disclosed
EP-0647636-A1 BENZOTHIAZOLE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Senju Pharmaceutical Co., Ltd. (JP) 1995-04-12 EP disclosed