SCHEMBL7842665

SCHEMBL7842665

O=C(O)CCCSCCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.60
LMNA P02545 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 1/20 0.55
CAMK2A Q9UQM7 1/20 0.55
GPR84 Q9NQS5 1/20 0.50
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.48
PTGS1 P23219 1/20 0.47
BHMT Q93088 2/20 0.47
NFKB1 P19838 1/20 0.46
PMP22 Q01453 1/20 0.46
ALDH1A1 P00352 1/20 0.42
GABRR3 A8MPY1 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
HDAC3 O15379 1/20 0.40
GABBR2 O75899 1/20 0.40

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
SCHEMBL17822696 0.91 GPR84 (0.58) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL18771046 0.91 GPR84 (0.58) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL7509590 0.90 CAMK2A (0.62) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL756105 0.89 TSHR (0.71) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL31241576 0.87 TSHR (0.68) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL3366538 0.84
SCHEMBL6866613 0.84 LMNA (0.78) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL197330 0.82
SCHEMBL2280524 0.81 LMNA (0.65) TSHRLMNATDP1KMT2AHSD17B10
SCHEMBL2596733 0.81 GPR84 (0.65) TSHRLMNATDP1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0686613-B1 OZONIDE REDUCING AGENT OTSUKA KAGAKU KK (JP) 2001-11-14 EP disclosed
US-5770729-A SULFIDE COMPOUND WITH POLAR SUBSTITUENTS, FORMATION OF SULFOXIDE, MILD CONDITIONS, SAFE, NONPOLLUTING OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1998-06-23 US disclosed
EP-0686613-A1 OZONIDE REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed
EP-0404949-A1 SUBSTITUTED ACETAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND ANTIULCER DRUG CONTAINING SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed