SCHEMBL7192142

SCHEMBL7192142

CCOc1c(C(C)(C)C)cc(CP(=O)(O)O)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.44
PGK2 P07205 2/20 0.44
HMGCR P04035 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
BLM P54132 1/20 0.38
ATM Q13315 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPRB P23467 2/20 0.38
THRB P10828 6/20 0.36

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
SCHEMBL496722 0.98 PGK1 (0.43) PGK1PGK2HMGCRMEN1KMT2A
Calcium SCHEMBL6227678 0.98 PGK1 (0.43) PGK1PGK2HMGCRMEN1KMT2A
SCHEMBL1509708 0.92 HMGCR (0.42) PGK1PGK2HMGCRMEN1KMT2A
SCHEMBL11080455 0.88 HMGCR (0.46) PGK1PGK2HMGCRMEN1KMT2A
SCHEMBL10830497 0.86 HMGCR (0.42) PGK1PGK2HMGCRMEN1KMT2A
SCHEMBL10825681 0.85 ENPP2 (0.41) PGK1PGK2HMGCRMEN1KMT2A
SCHEMBL11139109 0.85 ENPP2 (0.41) PGK1PGK2HMGCRMEN1KMT2A
Calcium SCHEMBL10683245 0.85 ENPP2 (0.41) PGK1PGK2HMGCRMEN1KMT2A
Calcium SCHEMBL10688521 0.83 HMGCR (0.39) HMGCRMEN1KMT2AGAAUSP2
Calcium SCHEMBL10682160 0.83 ENPP2 (0.46) THRBTHRAENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416321-B1 Crystalline polyolefin composition CHISSO CORP (JP) 1994-11-09 EP claimed
EP-0042629-B1 ACTIVATION OF BLOWING AGENTS UNIROYAL, INC. (US) 1984-07-25 EP claimed
EP-0042629-A1 Activation of blowing agents UNIROYAL, INC. (US) 1981-12-30 EP claimed
EP-0734414-B2 STABILISED VINYL CHLORIDE COMPOSITION AKCROS CHEM (GB) 2003-10-22 EP disclosed
EP-0734414-B1 STABILISED VINYL CHLORIDE COMPOSITION AKCROS CHEM (GB) 1999-03-03 EP disclosed
US-5585042-A REVERSIBLE CHANGE IN COLOR WHEN EXPOSURED TO ULTRAVIOLET RADIATION TRANSITIONS OPTICAL, INC. (US) 1996-12-17 US disclosed
EP-0734414-A1 STABILISED VINYL CHLORIDE COMPOSITION AKCROS CHEMICALS (GB) 1996-10-02 EP disclosed
WO-1995016739-A1 STABILISED VINYL CHLORIDE COMPOSITION AKCROS CHEMICALS (GB) 1995-06-22 WO disclosed
US-5395567-A For use in ophthalmic lenses; efficient reversible color change on exposure to uv rad PPG INDUSTRIES, INC. (US) 1995-03-07 US disclosed
US-4440672-A SPIRO(INDOLINE-2,3'-(3'H)-NAPHTN(1,2-B)(1,4) OXAZINES), ULTRAVIOLET STABILIZER AMERICAN OPTICAL CORPORATION (US) 1984-04-03 US disclosed
US-4259453-A HYDRAZODICARBOXYLATE BLOWING AGENT FOR EXPANDING POLYMERIC MATERIAL UNIROYAL, INC. (US) 1981-03-31 US disclosed
US-4135014-A GLASS BOTTLE COATING COMPOSITIONS UNION CARBIDE CORPORATION (US) 1979-01-16 US disclosed
US-4104256-A ALKYL PHOSPHONIC ACIDS OR MONOALKYLESTER OF AN ALKYL PHOSPHONIC ACID UNION CARBIDE CORPORATION (US) 1978-08-01 US disclosed