SCHEMBL9628663

SCHEMBL9628663

CC(CCS(=O)(=O)c1ccccc1)O[C@H]1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
HTR7 P34969 1/20 0.38
NPC1 O15118 1/20 0.37
MEN1 O00255 2/20 0.36
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PSIP1 O75475 1/20 0.34
HSD11B1 P28845 1/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP14 P50281 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL7584043 0.81 ALDH1A1 (0.39) KMT2ARAB9APOLBHTR7NPC1
SCHEMBL6097183 0.78 ALDH1A1 (0.38) KMT2AMEN1SLC6A3ALDH1A1MMP1
SCHEMBL10911815 0.76 KMT2A (0.41) KMT2ARAB9ANPC1MEN1SLC6A3
SCHEMBL7050550 0.76 SIGMAR1 (0.39) KMT2AMEN1SLC6A3CA12CA1
SCHEMBL6097178 0.76 KMT2A (0.51) KMT2ARAB9APOLBHTR7NPC1
SCHEMBL9626734 0.75 HPGD (0.39) KMT2AMEN1SLC6A3ALDH1A1MAPT
SCHEMBL9180023 0.75 SLC6A3 (0.34) KMT2ARAB9APOLBMEN1SLC6A3
SCHEMBL8505555 0.75 SLC6A3 (0.34) KMT2ARAB9APOLBMEN1SLC6A3
SCHEMBL27147707 0.74 FKBP1A (0.37) MMP1MMP2MMP3CA12CA1
SCHEMBL27131627 0.74 FKBP1A (0.37) MMP1MMP2MMP3CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081152-A AZULENE DERIVATIVES AS THROMBOXANE A2 AND PROSTAGLANDIN ENDOPEROXIDE RECEPTOR ANTAGONIST KOTOBUKI SEIYAKU CO., LTD. (JP) 1992-01-14 US disclosed