SCHEMBL27628186

SCHEMBL27628186

CCC(=O)c1ccccc1-c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.61
SLC6A3 Q01959 2/20 0.61
TUBB4A P04350 3/20 0.47
TUBB P07437 3/20 0.47
TUBA3C P0DPH7 3/20 0.47
TUBA1B P68363 3/20 0.47
TUBA4A P68366 3/20 0.47
TUBB4B P68371 3/20 0.47
TUBB3 Q13509 3/20 0.47
TUBB2A Q13885 3/20 0.47
TUBB8 Q3ZCM7 3/20 0.47
TUBA3E Q6PEY2 3/20 0.47
TUBA1A Q71U36 3/20 0.47
TUBA1C Q9BQE3 3/20 0.47
TUBB6 Q9BUF5 3/20 0.47
TUBB2B Q9BVA1 3/20 0.47
TUBB1 Q9H4B7 3/20 0.47
LTB4R2 Q9NPC1 2/20 0.46
PTGS2 P35354 2/20 0.45
MAPT P10636 3/20 0.44

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
SCHEMBL11994151 0.87 SLC6A4 (0.58) SLC6A4SLC6A3TUBB4ATUBBTUBA3C
SCHEMBL30505632 0.85 BCAT2 (0.57) LTB4R2MAPTSMN1; SMN2PDK2L3MBTL1
SCHEMBL3420505 0.85 BCAT2 (0.57) LTB4R2MAPTSMN1; SMN2PDK2L3MBTL1
SCHEMBL9542216 0.84 L3MBTL1 (0.46) SLC6A4SLC6A3LTB4R2MAPTSMN1; SMN2
SCHEMBL9125028 0.84 HSP90AB1 (0.49) SLC6A4SLC6A3LTB4R2MAPTSMN1; SMN2
SCHEMBL27539512 0.84 BCAT2 (0.55) LTB4R2MAPTSMN1; SMN2PDK2L3MBTL1
SCHEMBL28693105 0.83 BCAT2 (0.46) SLC6A4SLC6A3LTB4R2MAPTSMN1; SMN2
SCHEMBL27481642 0.83 CHRNA7 (0.45) SLC6A4SLC6A3LTB4R2MAPTSMN1; SMN2
SCHEMBL847199 0.83 SLC6A3 (0.59) SLC6A4SLC6A3LTB4R2MAPTSMN1; SMN2
SCHEMBL28116436 0.83 LTB4R2 (0.49) SLC6A4SLC6A3LTB4R2MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102292321-B Pyrazolyl-substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor for the treatment of receptor-related disorders ARENA PHARMACEUTICALS, INC. (US) 2015-08-12 CN disclosed
CN-102292321-A Pyrazolyl-substituted carbonic acid derivatives as modulators of the prostacyclin (PGI2) receptor for the treatment of receptor-related disorders 2011-12-21 CN disclosed
CN-101454299-A Ureide derivative and use thereof for medical purposes TORAY INDUSTRIES (JP) 2009-06-10 CN disclosed
CN-100357282-C Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP (KR) 2007-12-26 CN disclosed
CN-1705650-A Isothiazole derivatives, process for preparing the same, and pharmaceutical composition comprising the same CJ CORP (KR) 2005-12-07 CN disclosed