SCHEMBL5486244

SCHEMBL5486244

CCC(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(O)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.43
LMNA P02545 3/20 0.43
RECQL P46063 1/20 0.43
NR1I2 O75469 1/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
CYP1A2 P05177 5/20 0.38
TSHR P16473 4/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 2/20 0.37

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
SCHEMBL563526 0.88 HMGCR (0.33) HMGCRLMNARECQLNR1I2
SCHEMBL4689967 0.87 HMGCR (0.46) HMGCRLMNARECQLNR1I2CA2
SCHEMBL5670221 0.87 HMGCR (0.46) HMGCRLMNARECQLNR1I2CA2
Calcium SCHEMBL7116377 0.86 HMGCR (0.44) HMGCRLMNARECQLNR1I2CA2
SCHEMBL340446 0.86 HMGCR (0.44) HMGCRLMNARECQLNR1I2CA2
SCHEMBL563208 0.81 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2
Potassium Ion SCHEMBL5912033 0.81 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2
SCHEMBL915240 0.81 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2
SCHEMBL916917 0.81 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2
Zinc Ion SCHEMBL915462 0.81 HMGCR (0.43) HMGCRLMNARECQLNR1I2CA2

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-9200136-B2 Chlorine dioxide resistant polyethylene pipes, their preparation and use BOREALIS AG (AT) 2015-12-01 US claimed
CN-114846088-B Curable resin composition, method for producing same, and cured product 三键有限公司 2023-06-27 CN disclosed
US-20070225469-A1 Polyester Resin and Process for Production Thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2007-09-27 US disclosed