SCHEMBL9790653

SCHEMBL9790653

Cc1cc(NC(P(=O)(O)O)P(=O)(O)O)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.56
FDPS P14324 4/20 0.53
FDFT1 P37268 1/20 0.50
MAPT P10636 1/20 0.50
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
MMP8 P22894 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
EGFR P00533 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL11401437 0.81 FDPS (0.47) FDPSFDFT1NPC1RAB9ASMN1; SMN2
SCHEMBL9819252 0.78 FDPS (0.47) FDPSFDFT1MAPTCA12CA1
SCHEMBL9819343 0.76 RAB9A (0.49) FDPSFDFT1MAPTNPC1RAB9A
SCHEMBL9819305 0.76 FDPS (0.47) FDPSFDFT1NPC1RAB9ASMN1; SMN2
SCHEMBL9819397 0.75 PPARA (0.47) FDPSFDFT1NPC1RAB9ASMN1; SMN2
SCHEMBL9819210 0.73 NPC1 (0.46) FDPSNPC1RAB9ATSHR
SCHEMBL9819301 0.73 FDPS (0.41) FDPSFDFT1RAB9AALDH1A1
SCHEMBL9819288 0.73 FDPS (0.51) FDPSFDFT1NPC1RAB9ASMN1; SMN2
SCHEMBL149194 0.73 TRPM8 (0.70) TRPM8MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9819238 0.72 FDPS (0.57) FDPSFDFT1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282320-B1 BISPHOSPHONIC ACID DERIVATIVES AND MEDICINES CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-12-11 EP claimed
EP-0274346-B1 SUBSTITUTED AMINOMETHANE-DIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP claimed
EP-0282320-A1 Bisphosphonic acid derivatives and medicines containing the same YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP claimed
JP-2000185-A None JP disclosed
EP-0282320-B1 BISPHOSPHONIC ACID DERIVATIVES AND MEDICINES CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-12-11 EP disclosed
US-5057505-A Treatment of illnesses attributed to calcium metabolism disorders CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0274346-B1 SUBSTITUTED AMINOMETHANE-DIPHOSPHONIC ACIDS CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed
US-4973576-A ANTIARTHRITIC AGENTS, TREATMENT OF HYPERCALCEMIA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-11-27 US disclosed
JP-H02185-A BISPHOSPHONIC ACID DERIVATIVE AND MEDICINE THEREOF YAMANOUCHI PHARMACEUT CO LTD 1990-01-05 JP disclosed
EP-0282320-A1 Bisphosphonic acid derivatives and medicines containing the same YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP disclosed