SCHEMBL3263897

SCHEMBL3263897

CC1=CCOc2ccccc21.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
CYP19A1 P11511 3/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
PGR P06401 1/20 0.34
KMT2A Q03164 1/20 0.33
ADRA2A P08913 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
HTT P42858 1/20 0.32
MAOB P27338 2/20 0.32
HRH1 P35367 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL29474944 0.98 PKM (0.42) PKMTSHRCYP19A1ABCG2ITGB2
SCHEMBL294470 0.98 PKM (0.42) PKMTSHRCYP19A1ABCG2ITGB2
SCHEMBL3260210 0.96 PKM (0.41) PKMTSHRCYP19A1ABCG2ITGB2
SCHEMBL21694385 0.82 PKM (0.32) PKMTSHRCYP19A1
SCHEMBL7027814 0.78 ITGB2 (0.44) PKMTSHRCYP19A1ABCG2ITGB2
SCHEMBL8404598 0.73 ADRA2A (0.51) CYP19A1PGRKMT2AADRA2ASMN1; SMN2
SCHEMBL30636720 0.73 ADRA2A (0.51) CYP19A1PGRKMT2AADRA2ASMN1; SMN2
SCHEMBL8404596 0.73 CYP19A1 (0.41) CYP19A1ADRA2AMAOBMAPT
SCHEMBL5541737 0.72 PKM (0.42) PKMTSHRCYP19A1ABCG2ITGB2
SCHEMBL276292 0.72 PKM (0.47) PKMTSHRCYP19A1ABCG2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344171-B2 Process for making dihydrocarbyl hydrocarbonphosphonates ALBEMARLE CORPORATION (US) 2013-01-01 US disclosed
US-20100179342-A1 PROCESS FOR MAKING DIHYDROCARBYL HYDROCARBONPHOSPHONATES ALBEMARLE CORPORATION (US) 2010-07-15 US disclosed
EP-2164853-A1 PROCESS FOR MAKING DIHYDROCARBYL HYDROCARBONPHOSPHONATES Albermarle Corporation (US) 2010-03-24 EP disclosed
WO-2008154268-A1 PROCESS FOR MAKING DIHYDROCARBYL HYDROCARBONPHOSPHONATES ALBEMARLE CORPORATION (US) 2008-12-18 WO disclosed