SCHEMBL4687253

SCHEMBL4687253

Cc1ccc(S(=O)(=O)OCCCO)cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 2/20 0.41
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
GAA P10253 1/20 0.39
CA2 P00918 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8923591 0.90 LMNA (0.47) ALDH1A1HTTLMNATDP1PKM
SCHEMBL4687250 0.85 LMNA (0.46) ALDH1A1HTTLMNATDP1PKM
SCHEMBL5663959 0.85 CA2 (0.50) ALDH1A1HTTLMNATDP1PKM
SCHEMBL5501025 0.83 RECQL (0.46) ALDH1A1HTTLMNATDP1PKM
SCHEMBL11883632 0.83 RECQL (0.46) ALDH1A1HTTLMNATDP1PKM
SCHEMBL11880300 0.83 RECQL (0.46) ALDH1A1HTTLMNATDP1PKM
SCHEMBL11880309 0.83 RECQL (0.46) ALDH1A1HTTLMNATDP1PKM
SCHEMBL8923582 0.81 LMNA (0.48) ALDH1A1HTTLMNATDP1PKM
SCHEMBL2163310 0.81 STAT3 (0.44) ALDH1A1GAACA2KMT2AMEN1
SCHEMBL4687415 0.80 LMNA (0.47) ALDH1A1HTTLMNATDP1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0514667-B1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMA CO LTD (JP) 1995-08-09 EP disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed