SCHEMBL945588

SCHEMBL945588

CC(C)(C)c1cc(C(OP(=O)(O)O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
HMGCR P04035 5/20 0.39
NR5A2 O00482 1/20 0.37
NR5A1 Q13285 1/20 0.37
HSP90AA1 P07900 1/20 0.35
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
ALOX5 P09917 3/20 0.34
PTGS2 P35354 3/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TYR P14679 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1I2 O75469 1/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33

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
SCHEMBL2329995 0.98 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL2329468 0.97 CYP3A4 (0.46) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL22100 0.81 TRPV1 (0.34) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL2334334 0.79 TRPV1 (0.34) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL7731663 0.78 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL9660052 0.78 TRPV1 (0.34) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL888650 0.78 TRPV1 (0.34) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL1132180 0.78 TRPV1 (0.34) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL5850864 0.76 HMGCR (0.34) CYP3A4CYP2C9CYP2C19CYP1A2TSHR
SCHEMBL19858472 0.74 HMGCR (0.41) HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2559726-B1 Additive concentrate and use thereof HOLLAND COLOURS NV (NL) 2014-02-19 EP claimed
WO-2013025098-A1 ADDITIVE CONCENTRATE AND USE THEREOF HOLLAND COLOURS N.V. (NL) 2013-02-21 WO claimed
EP-2559726-A1 Additive concentrate and use thereof Holland Colours N. V. (NL) 2013-02-20 EP claimed
US-9309408-B2 Additive concentrate and use thereof HOLLAND COLOURS N.V. (NL) 2016-04-12 US disclosed
US-20140353550-A1 ADDITIVE CONCENTRATE AND USE THEREOF HOLLAND COLOURS N.V. (NL) 2014-12-04 US disclosed
EP-2559726-B1 Additive concentrate and use thereof HOLLAND COLOURS NV (NL) 2014-02-19 EP disclosed
WO-2013025098-A1 ADDITIVE CONCENTRATE AND USE THEREOF HOLLAND COLOURS N.V. (NL) 2013-02-21 WO disclosed
EP-2559726-A1 Additive concentrate and use thereof Holland Colours N. V. (NL) 2013-02-20 EP disclosed
US-8173730-B2 Environmentally friendly material used for making pens BEIFA GROUP CO., LTD. (CN) 2012-05-08 US disclosed
US-20110005038-A1 BUTTON MADE OF BIOMASS MATERIAL AND METHOD FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2011-01-13 US disclosed
EP-2223622-A1 BUTTON MADE FROM BIOMASS RAW MATERIAL AND METHOD FOR PRODUCING THE SAME Teijin Limited (JP) 2010-09-01 EP disclosed
US-20100099808-A1 ENVIRONMENTALLY FRIENDLY MATERIAL USED FOR MAKING PENS BEIFA GROUP CO., LTD. (CN) 2010-04-22 US disclosed