SCHEMBL9819210

SCHEMBL9819210

O=P(O)(O)C(Nc1cc(C2CC2)on1)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 1/20 0.46
SMYD3 Q9H7B4 9/20 0.43
FDPS P14324 7/20 0.42
STAT1 P42224 2/20 0.41
STAT3 P40763 1/20 0.41

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
SCHEMBL9819177 0.93 NPC1 (0.48) NPC1RAB9ATSHRSMYD3FDPS
SCHEMBL9790653 0.73 TRPM8 (0.56) NPC1RAB9ATSHRFDPS
SCHEMBL11401437 0.72 FDPS (0.47) NPC1RAB9ATSHRFDPS
SCHEMBL11641528 0.70 RAB9A (0.61) NPC1RAB9ATSHRSMYD3STAT1
SCHEMBL9819252 0.70 FDPS (0.47) FDPS
SCHEMBL9819467 0.69 NPC1 (0.46) NPC1RAB9ATSHRSMYD3STAT1
SCHEMBL9819238 0.68 FDPS (0.57) NPC1RAB9AFDPS
SCHEMBL9819343 0.68 RAB9A (0.49) NPC1RAB9AFDPS
SCHEMBL9819288 0.66 FDPS (0.51) NPC1RAB9AFDPS
SCHEMBL9819301 0.66 FDPS (0.41) RAB9AFDPS

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 6 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
US-4973576-A ANTIARTHRITIC AGENTS, TREATMENT OF HYPERCALCEMIA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-11-27 US claimed
EP-0282320-A1 Bisphosphonic acid derivatives and medicines containing the same YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP claimed
EP-0282320-B1 BISPHOSPHONIC ACID DERIVATIVES AND MEDICINES CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-12-11 EP disclosed
US-4973576-A ANTIARTHRITIC AGENTS, TREATMENT OF HYPERCALCEMIA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1990-11-27 US disclosed
EP-0282320-A1 Bisphosphonic acid derivatives and medicines containing the same YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-09-14 EP disclosed