SCHEMBL10857065

SCHEMBL10857065

CCc1ccccc1C(CC)(CC)CC.O=[PH](O)O[PH](=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
ATM Q13315 1/20 0.30
MGLL Q99685 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
SCHEMBL9344584 0.85 GABRA1 (0.46) GABRA1GABRB2MAPTALDH1A1NPSR1
SCHEMBL10860049 0.81 GABRA1 (0.35) GABRA1GABRB2MAPTALDH1A1NPSR1
SCHEMBL8926614 0.73 GABRA1 (0.37) GABRA1GABRB2MAPTALDH1A1NPSR1
SCHEMBL8967764 0.73 GABRA1 (0.37) GABRA1GABRB2MAPTALDH1A1NPSR1
SCHEMBL11610528 0.72 GABRA1 (0.36) GABRA1GABRB2MAPTALDH1A1
Ethylbenzene SCHEMBL28174765 0.72 TP53 (0.58) MAPTALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL11806035 0.71 GABRA1 (0.44) GABRA1GABRB2MAPTALDH1A1NPSR1
SCHEMBL8898679 0.71 GABRA1 (0.35) GABRA1GABRB2MAPTALDH1A1
Phosphonic Acid SCHEMBL649964 0.70 GABRA1 (0.52) GABRA1GABRB2MAPTALDH1A1NPSR1
SCHEMBL28463979 0.70 LIPG (0.33) GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4579720-A USING HYDROXYMETHANE DIPHOSPHONIC ACID PLAINS CHEMICAL DEVELOPMENT CO. (US) 1986-04-01 US disclosed
US-4440646-A HYDROXY OR HALOALKANEPHOSPHONATES PLAINS CHEMICAL DEVELOPMENT CO. (US) 1984-04-03 US disclosed
EP-0015370-B1 DIPHOSPHONATE OR PHOSPHATE-PHOSPHONATE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1983-01-12 EP disclosed