SCHEMBL4624252

SCHEMBL4624252

CC(C)c1ccccc1OP(=O)(Oc1ccc(C(C)(C)c2ccc(OP(=O)(Oc3ccccc3C(C)C)Oc3ccccc3C(C)C)cc2)cc1)Oc1ccccc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
AR P10275 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
P2RY1 P47900 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 2/20 0.32

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
SCHEMBL6128146 0.85 L3MBTL1 (0.32) CYP3A4TSHRALDH1A1TDP1AR
SCHEMBL30524958 0.85 CYP3A4 (0.41) CYP3A4TSHRKDM4ETDP1MEN1
SCHEMBL31105916 0.85 CYP3A4 (0.41) CYP3A4TSHRKDM4ETDP1MEN1
SCHEMBL223726 0.85 CYP3A4 (0.41) CYP3A4TSHRKDM4ETDP1MEN1
SCHEMBL222391 0.85 CYP3A4 (0.41) CYP3A4TSHRKDM4ETDP1MEN1
SCHEMBL3291065 0.84 CYP3A4 (0.59) CYP3A4TSHRALDH1A1TDP1MEN1
SCHEMBL18252 0.83 KMT2A (0.40) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL29352226 0.83 KMT2A (0.40) CYP3A4TSHRALDH1A1MEN1KMT2A
SCHEMBL3690617 0.82 CYP3A4 (0.41) CYP3A4TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL3294970 0.81 TSHR (0.46) CYP3A4TSHRKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1191029-B1 PROCESS FOR THE PREPARATION OF CONDENSED PHOSPHORIC ESTERS DAIHACHI CHEM IND (JP) 2008-05-21 EP disclosed
EP-1227101-B1 PROCESS FOR THE PREPARATION OF CONDENSED PHOSPHORIC ACID ESTERS DAIHACHI CHEM IND (JP) 2006-04-19 EP disclosed
EP-1199310-B1 PROCESS FOR THE PREPARATION OF CONDENSED PHOSPHORIC ESTERS DAIHACHI CHEM IND (JP) 2003-11-05 EP disclosed
US-6613928-B1 Reacting bisphenol A with a phosphorus oxytrihalide to prepare a phosphorohalidate, reacting that with with a monophenol, DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-09-02 US disclosed
US-6605737-B1 Process for the preparation of condensed phosphoric acid esters DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2003-08-12 US disclosed
US-6605736-B1 Process for the preparation of condensed phosphoric esters DAIHACHI CHEMICAL INDUSTRY CO., INC. (JP) 2003-08-12 US disclosed
EP-1227101-A1 PROCESS FOR THE PREPARATION OF CONDENSED PHOSPHORIC ACID ESTERS DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-07-31 EP disclosed
EP-1199310-A1 PROCESS FOR THE PREPARATION OF CONDENSED PHOSPHORIC ESTERS DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-04-24 EP disclosed
EP-1191029-A1 PROCESS FOR THE PREPARATION OF CONDENSED PHOSPHORIC ESTERS DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-03-27 EP disclosed