SCHEMBL4750482

SCHEMBL4750482

CCCCP(C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
PCSK9 Q8NBP7 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
PTGS2 P35354 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL11115959 0.93 LTA4H (0.37) LTA4HPCSK9TDP1CYP3A4ESR1
SCHEMBL15659608 0.91 DNM1 (0.39) LTA4HSMN1; SMN2SIGMAR1CES2CES1
SCHEMBL9492996 0.88 CYP3A4 (0.41) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL7558647 0.86 CYP3A4 (0.39) LTA4HPCSK9TDP1CYP3A4ESR1
SCHEMBL2916053 0.86 CYP3A4 (0.39) TDP1CYP3A4ESR1ESR2SIGMAR1
SCHEMBL9441831 0.83 CYP3A4 (0.45) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL13391635 0.83 CYP3A4 (0.45) TDP1CYP3A4ESR1ESR2TSHR
SCHEMBL14502474 0.80 CYP3A4 (0.35) TDP1CYP3A4ESR1ESR2
SCHEMBL7902228 0.79 KCNH2 (0.34) LTA4HPCSK9TDP1PTGS2SMN1; SMN2
SCHEMBL7902229 0.79 KCNH2 (0.34) LTA4HPCSK9TDP1PTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200384450-A1 CATALYSTS AND METHODS FOR EPOXIDE-BASED POLYMERIZATIONS CORNELL UNIVERSITY 2020-12-10 US disclosed
WO-2008131270-A1 METHOD FOR GENERATING ALKALI METAL PHOSPHIDES THROUGH REDUCTION OF TRI-SUBSTITUTED PHOSPHINES WITH ALKALI METAL POROUS OXIDE COMPOSITIONS SIGNA CHEMISTRY, LLC (US) 2008-10-30 WO disclosed
WO-2008131270-A1 METHOD FOR GENERATING ALKALI METAL PHOSPHIDES THROUGH REDUCTION OF TRI-SUBSTITUTED PHOSPHINES WITH ALKALI METAL POROUS OXIDE COMPOSITIONS SIGNA CHEMISTRY, LLC (US) 2008-10-30 WO disclosed
US-6822057-B2 OLEFIN POLYMERIZATION CATALYST SYSTEM IS A REACTION PRODUCT OF A METALLOCENES AND A COCATALYST CONTAINING FLUOROARYL SUBSTITUTED SECONDARY AMINE OR PHSOPHINE COMPOUND AND AN ANION CONTAINING GROUP 13 ELEMENT WHICH IS NONCOORDINATIG EXXON MOBIL CHEMICAL PATENTS INC. 2004-11-23 US disclosed
US-6489480-B2 COORDINATION POLYMERIZATION CATALYST FOR ALPHA-OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2002-12-03 US disclosed
US-20020115806-A1 Olefin polymerization catalysts derived from Group-15 cationic compounds and processes using them EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-22 US disclosed
US-20020111265-A1 GROUP-15 CATIONIC COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. 2002-08-15 US disclosed
EP-0163416-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed
EP-0138504-B1 STEROID DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-20 EP disclosed
US-4751240-A ANTIFERTILITY AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-06-14 US disclosed
US-4659516-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-21 US disclosed
EP-0163416-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-12-04 EP disclosed
EP-0138504-A2 Steroid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-04-24 EP disclosed
US-4001017-A REDOX CATALYSTS, DIAZINES, ELECTRON DONORS CIBA-GEIGY AG (CH) 1977-01-04 US disclosed