SCHEMBL789567

SCHEMBL789567

Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1C(C)OP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 8/20 0.36
POLB P06746 1/20 0.31
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
NR5A2 O00482 1/20 0.30
NR5A1 Q13285 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL5850864 0.86 HMGCR (0.34) HMGCRPOLBPGK1PGK2NR5A2
SCHEMBL603636 0.77 ALDH1A1 (0.36) HMGCRPGK1PGK2NR5A2NR5A1
SCHEMBL5850860 0.76 HMGCR (0.36) HMGCRPOLB
SCHEMBL1859062 0.75 CYP1A2 (0.33) POLB
SCHEMBL1859057 0.74 POLB (0.34) POLB
SCHEMBL31414417 0.74 ALDH1A1 (0.35) HMGCRPOLBPGK1PGK2NR5A2
SCHEMBL9879682 0.73 POLB (0.41) POLBALDH1A1
SCHEMBL28428492 0.71 SRC (0.49) HMGCRPOLBPGK1PGK2NR5A2
SCHEMBL7941412 0.71 POLB (0.40) POLBNR5A2NR5A1ALDH1A1
SCHEMBL2329995 0.70 CYP3A4 (0.47) HMGCRPOLBNR5A2NR5A1ALDH1A1

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
EP-2616473-B1 MIXTURES CONTAINING PHOSPHOROUS, PROCEDURES FOR THEIR PRODUCTION AND USE CLARIANT INT LTD (CH) 2016-11-09 EP disclosed
EP-2616473-A2 PHOSPHORUS-CONTAINING MIXTURES, PROCESSES FOR PREPARING THEM AND USE THEREOF Clariant Finance (BV) Limited (VG) 2013-07-24 EP disclosed
WO-2012034680-A2 PHOSPHORUS-CONTAINING MIXTURES, PROCESSES FOR PREPARING THEM AND USE THEREOF CLARIANT INTERNATIONAL LTD (CH) 2012-03-22 WO disclosed