SCHEMBL8589535

SCHEMBL8589535

CSc1ccccc1OP(=O)(O)C(=S)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 5/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 2/20 0.33
SRC P12931 1/20 0.33
USP2 O75604 1/20 0.33
PDE3A Q14432 1/20 0.33
INPPL1 O15357 1/20 0.33
INPP5B P32019 1/20 0.33
INPP5A Q14642 1/20 0.33
TP53 P04637 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
SCHEMBL9816649 0.80 INPPL1 (0.52) TSHRHSD17B10SMN1; SMN2POLBTDP1
SCHEMBL9816644 0.76 TSHR (0.42) TSHRHSD17B10SMN1; SMN2POLBTDP1
SCHEMBL8091468 0.71 PLK1 (0.36) TSHRHSD17B10SMN1; SMN2POLBMAPT
SCHEMBL8587107 0.66 SRC (0.42) SMN1; SMN2POLBTDP1L3MBTL1MAPT
SCHEMBL9351941 0.65 POLB (0.49) TSHRHSD17B10SMN1; SMN2POLBTDP1
SCHEMBL2774997 0.65 SLC6A2 (0.49) TSHRHSD17B10SMN1; SMN2POLBTDP1
SCHEMBL11779552 0.65 PTGS2 (0.38)
SCHEMBL9351756 0.64 POLB (0.47) TSHRHSD17B10SMN1; SMN2POLBTDP1
SCHEMBL6031819 0.64 PTGS2 (0.62) TSHRHSD17B10TDP1HPGDKDM4E
SCHEMBL71009 0.63 CA1 (0.57) TSHRHSD17B10SMN1; SMN2POLBTDP1

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-0594857-B1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 1998-04-29 EP disclosed
US-5683992-A TREATMENT OF RHEUMATISM, BONE DISORDERS, ANTIINFLAMMATORY, SUPPRESSION OF INTERLEUKIN-1, ANTIOXIDANT, TREATMENT OF AUTOIMMUNE DISEASES TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
US-5527940-A SUPPRESSES INTERLEUKIN-1 AND BONE DESTRUCTION DURING OSTEOPOROSIS; ANTIINFLAMMATORY AGENTS TORAY INDUSTRIES, INC. (JP) 1996-06-18 US disclosed
EP-0594857-A1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-05-04 EP disclosed