SCHEMBL11534858

SCHEMBL11534858

CCC(O[PH](=O)OC(CC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
LMNA P02545 3/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
TYR P14679 1/20 0.39
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
KMT2A Q03164 4/20 0.38
GAA P10253 4/20 0.38
GPR55 Q9Y2T6 1/20 0.38
NR1I2 O75469 1/20 0.38
MEN1 O00255 3/20 0.37
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
Calcium SCHEMBL29520965 0.98 HMGCR (0.40) HMGCRCA2CA1LMNARECQL
SCHEMBL4951465 0.89 HMGCR (0.40) HMGCRCA2CA1LMNARECQL
SCHEMBL9162616 0.87 HMGCR (0.38) HMGCRCA2CA1LMNARECQL
SCHEMBL269627 0.87 HMGCR (0.38) HMGCRCA2CA1LMNARECQL
SCHEMBL3140206 0.80 HMGCR (0.46) HMGCRCA2CA1LMNARECQL
Calcium SCHEMBL7746280 0.79 HMGCR (0.45) HMGCRCA2CA1LMNARECQL
SCHEMBL10769464 0.77 HMGCR (0.40) HMGCRCA2CA1LMNARECQL
SCHEMBL4947015 0.75 HMGCR (0.44) HMGCRCA2CA1LMNARECQL
SCHEMBL28660343 0.75 HMGCR (0.44) HMGCRCA2CA1LMNARECQL
SCHEMBL899457 0.74 F2R (0.36) HMGCRCA2CA1LMNARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4148747-A FOR POLYMERS RAYCHEM CORPORATION (US) 1979-04-10 US disclosed
US-4052279-A HYDROXY AROMATIC COMPOUND CONTAINING SULFUR AND AN ORGANIC PHOSPHONATE AS POLYMER ANTIOXIDANT RAYCHEM CORPORATION (US) 1977-10-04 US disclosed