SCHEMBL8588595

SCHEMBL8588595

O=P(O)(O)C(c1cc(-c2ccccc2)cs1)P(O)(O)=S

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
CA14 Q9ULX7 4/20 0.40
ACP3 P15309 3/20 0.40
CA9 Q16790 3/20 0.40
CA2 P00918 2/20 0.40
CA12 O43570 2/20 0.40
MMP2 P08253 2/20 0.40
CA1 P00915 1/20 0.40
FDPS P14324 4/20 0.38
MMP8 P22894 2/20 0.38
MMP14 P50281 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSD17B2 P37059 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MMP12 P39900 2/20 0.33
PTPN1 P18031 1/20 0.33
PTPN5 P54829 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
SCHEMBL8855652 0.91 SRC (0.46) SRCCA14ACP3CA9CA2
SCHEMBL2945021 0.74 DAO (0.35) CA14CA9CA12MMP2FDPS
SCHEMBL5940644 0.73 CA12 (0.35) CA14CA9CA12MMP2FDPS
SCHEMBL8589356 0.72 PTPRC (0.33) SRCRAB9A
SCHEMBL8994323 0.71 DAO (0.30) RAB9A
SCHEMBL8588593 0.68 FDPS (0.41) SRCCA14ACP3CA9CA2
SCHEMBL20286594 0.68 ALDH1A1 (0.47) HDAC6HSD17B2NPC1RAB9A
SCHEMBL8587108 0.67 HDAC6 (0.35) CA14ACP3CA9CA2FDPS
SCHEMBL20546450 0.65 MMP12 (0.44) MMP2MMP8MMP14HDAC6HSD17B2
SCHEMBL20546449 0.65 MMP12 (0.44) MMP2MMP8MMP14HDAC6HSD17B2

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