SCHEMBL3140206

SCHEMBL3140206

CCC(OP(=O)(O)O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.46
NR1I2 O75469 1/20 0.43
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
TYR P14679 1/20 0.38
CYP1A2 P05177 4/20 0.38
TSHR P16473 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
GPR55 Q9Y2T6 1/20 0.37
CYP2D6 P10635 2/20 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
Calcium SCHEMBL7746280 0.98 HMGCR (0.45) HMGCRNR1I2LMNARECQLCA2
SCHEMBL4947015 0.85 HMGCR (0.44) HMGCRNR1I2LMNARECQLCA2
SCHEMBL28660343 0.85 HMGCR (0.44) HMGCRNR1I2LMNARECQLCA2
SCHEMBL29232866 0.84 SMPD1 (0.47) HMGCRNR1I2LMNARECQL
SCHEMBL11534858 0.80 HMGCR (0.40) HMGCRNR1I2LMNARECQLCA2
Calcium SCHEMBL29520965 0.79 HMGCR (0.40) HMGCRNR1I2LMNARECQLCA2
SCHEMBL28066810 0.77 SMPD1 (0.43) HMGCRNR1I2CYP1A2CYP2C9CYP2C19
SCHEMBL4689967 0.76 HMGCR (0.46) HMGCRNR1I2LMNARECQLCA2
SCHEMBL5670221 0.76 HMGCR (0.46) HMGCRNR1I2LMNARECQLCA2
SCHEMBL10769464 0.76 HMGCR (0.40) HMGCRNR1I2LMNARECQLCA2

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-20100072416-A1 HEAT-DISSIPATING RESIN COMPOSITION, SUBSTRATE FOR LED MOUNTING, REFLECTOR, AND SUBSTRATE FOR LED MOUNTING HAVING REFLECTOR PORTION TECHNO POLYMER CO. LTD (JP) 2010-03-25 US disclosed
EP-2078736-A1 HEAT-DISSIPATING RESIN COMPOSITION, SUBSTRATE FOR LED MOUNTING, REFLECTOR, AND SUBSTRATE FOR LED MOUNTING HAVING REFLECTOR PORTION Techno Polymer Co., Ltd. (JP) 2009-07-15 EP disclosed
US-20060286395-A1 Optical film and support thereof KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2006-12-21 US disclosed