SCHEMBL8587462

SCHEMBL8587462

CC(C)Sc1ccc(OP(=O)(O)C(=S)P(=O)(O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
MMP14 P50281 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.31
BLM P54132 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRM2 P08172 1/20 0.31
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
ANPEP P15144 1/20 0.31
LAP3 P28838 1/20 0.31
LMNA P02545 4/20 0.30
MMP1 P03956 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
THRB P10828 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8091468 0.83 PLK1 (0.36) SMN1; SMN2BLMCYP2C19LMNAPOLB
SCHEMBL8589340 0.79 BLM (0.37) SMN1; SMN2BLMCYP2C19GAANPC1
SCHEMBL8083418 0.77 ACP3 (0.42) MMP2CYP2C19LMNACYP3A4
SCHEMBL8587107 0.77 SRC (0.42) MMP2SMN1; SMN2LMNAPOLBSRC
SCHEMBL8589711 0.75 CA2 (0.40) SMN1; SMN2BLMCYP2C19
SCHEMBL3799753 0.74 MEN1 (0.50) MMP2MMP8MMP14SMN1; SMN2CYP2C19
SCHEMBL8589186 0.73 SLC6A4 (0.39) SMN1; SMN2BLMCYP2C19LMNARAB9A
SCHEMBL8589072 0.69
SCHEMBL8586119 0.68 ALDH1A1 (0.55) THRBCYP3A4TSHR
SCHEMBL8589347 0.68 MMP2 (0.66) MMP2MMP8MMP14SMN1; SMN2CYP2C19

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