SCHEMBL9465235

SCHEMBL9465235

O=S(=O)(CCC1(OC2CCCCO2)CC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.40
RAB9A P51151 4/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HTR7 P34969 2/20 0.36
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CYP2D6 P10635 1/20 0.33
CRBN Q96SW2 1/20 0.33
FFAR2 O15552 1/20 0.32

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
SCHEMBL6097178 0.77 KMT2A (0.51) KMT2ARAB9APOLBMEN1HTR7
SCHEMBL9467587 0.74 HPGD (0.39) KMT2ARAB9AMEN1ALDH1A1NPC1
SCHEMBL9628663 0.74 KMT2A (0.39) KMT2ARAB9APOLBMEN1ALDH1A1
SCHEMBL9465830 0.74 SLC12A2 (0.37) KMT2APOLBMEN1ALDH1A1SMN1; SMN2
SCHEMBL7584043 0.73 ALDH1A1 (0.39) KMT2ARAB9APOLBMEN1ALDH1A1
SCHEMBL21826817 0.70 CA1 (0.33)
SCHEMBL21827045 0.70 CA1 (0.33)
SCHEMBL23763274 0.69 ALDH1A1 (0.31) ALDH1A1
SCHEMBL21885820 0.69 ALDH1A1 (0.43) KMT2ARAB9APOLBMEN1ALDH1A1
SCHEMBL9180023 0.68 SLC6A3 (0.34) KMT2ARAB9APOLBMEN1ALDH1A1

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-0412110-B1 NOVEL VITAMIN D ANALOGUES LEO PHARM PROD LTD (DK) 1993-07-07 EP disclosed
US-5206229-A Inhibit cell proliferation, antiinflammatory, treating imbalance of immune system LEO PHARMACEUTICAL PRODUCTS LTD (DK) 1993-04-27 US disclosed
EP-0412110-A1 NOVEL VITAMIN D ANALOGUES. LEO PHARM PROD LTD (DK) 1991-02-13 EP disclosed
WO-1989010351-A1 NOVEL VITAMIN D ANALOGUES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMIS (DK) 1989-11-02 WO disclosed