SCHEMBL8855652

SCHEMBL8855652

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
ACP3 P15309 3/20 0.44
FDPS P14324 4/20 0.41
CA14 Q9ULX7 3/20 0.41
MMP8 P22894 2/20 0.41
MMP14 P50281 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HSD17B2 P37059 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN5 P54829 1/20 0.37

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
SCHEMBL8588595 0.91 SRC (0.41) SRCACP3FDPSCA14MMP8
SCHEMBL8588593 0.72 FDPS (0.41) SRCACP3FDPSCA14MMP8
SCHEMBL20286594 0.72 ALDH1A1 (0.47) HDAC6HSD17B2NPC1RAB9A
SCHEMBL20546449 0.69 MMP12 (0.44) MMP8MMP14HDAC6HSD17B2MMP2
SCHEMBL20546450 0.69 MMP12 (0.44) MMP8MMP14HDAC6HSD17B2MMP2
SCHEMBL11828404 0.68 MMP12 (0.47) MMP8MMP14HDAC6HSD17B2RAB9A
Biphenyl SCHEMBL3727875 0.67 ALDH1A1 (0.60) SRCACP3FDPSCA14MMP8
Biphenyl SCHEMBL263925 0.67 ALDH1A1 (0.60) SRCACP3FDPSCA14MMP8
Biphenyl SCHEMBL3763955 0.67 ALDH1A1 (0.60) SRCACP3FDPSCA14MMP8
Biphenyl SCHEMBL342228 0.67 ALDH1A1 (0.60) SRCACP3FDPSCA14MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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