SCHEMBL9652020

SCHEMBL9652020

O=[PH](O)O[PH](=O)OCSc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 3/20 0.34
NPC1 O15118 3/20 0.34
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
RECQL P46063 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32

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
Butane SCHEMBL8826144 0.79 FFAR1 (0.40) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL9638244 0.74 MEN1 (0.33) NPC1KMT2AMEN1MAPT
SCHEMBL9637977 0.71 MAPT (0.42) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL8949914 0.70 FFAR1 (0.38) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL15572774 0.66 HPGD (0.35) FFAR1ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL15571917 0.66 HPGD (0.35) FFAR1ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL15572570 0.66 HPGD (0.35) FFAR1ALDH1A1MAPK1KMT2ARECQL
SCHEMBL10401993 0.66 FFAR1 (0.54) FFAR1ALDH1A1MAPK1RAB9ANPC1
SCHEMBL15572456 0.66 HPGD (0.35) FFAR1ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL3131963 0.66 ALDH1A1 (0.57) FFAR1ALDH1A1MAPK1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339237-B1 PHENOL SUBSTITUTED GEM-DIPHOSPHONATE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1992-12-30 EP claimed