SCHEMBL8395207

SCHEMBL8395207

CCOc1cccc(N(Cc2nc3ccc(F)c(F)c3s2)C(=O)CCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 4/20 0.39
HPGD P15428 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
PPARA Q07869 1/20 0.35
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8399115 0.92 MTNR1A (0.40) LTB4R2LMNAKMT2ANPC1RAB9A
SCHEMBL8396412 0.91 SMN1; SMN2 (0.40) LTB4R2PPARASMN1; SMN2HTTHSD17B10
SCHEMBL8396078 0.88 LTB4R2 (0.40) LTB4R2HPGDTP53LMNAMEN1
SCHEMBL8396071 0.88 LTB4R2 (0.36) LTB4R2TP53LMNARAB9A
SCHEMBL8398137 0.88 RAB9A (0.40) LTB4R2MAPTTP53LMNAMEN1
SCHEMBL8399085 0.88 LTB4R2 (0.40) LTB4R2TP53LMNAMEN1KMT2A
SCHEMBL8399483 0.87 HDAC6 (0.39) LTB4R2MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL8399605 0.86 LTB4R2 (0.39) LTB4R2HPGDFFAR1FFAR4MAPT
SCHEMBL8398957 0.86 AKR1A1 (0.43)
SCHEMBL8395274 0.86 AKR1B1 (0.37) HPGDSMN1; SMN2TP53ALDH1A1HTT

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