SCHEMBL5013786

SCHEMBL5013786

C[C](c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
LMNA P02545 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
POLB P06746 2/20 0.41
CTSD P07339 1/20 0.40

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
SCHEMBL1518530 0.78 PTGS2 (0.44) TDP1L3MBTL1CYP3A4ALDH1A1LMNA
SCHEMBL578023 0.76 L3MBTL1 (0.48) TDP1L3MBTL1ALDH1A1LMNAHDAC3
SCHEMBL2369710 0.75 CYP2D6 (0.43) TDP1L3MBTL1CYP3A4ALDH1A1LMNA
SCHEMBL8017607 0.74 CES2 (0.44) L3MBTL1CYP3A4ALDH1A1CES2CES1
SCHEMBL8279 0.74 TDP1 (0.58) TDP1L3MBTL1ALDH1A1CES2CES1
SCHEMBL10910457 0.73 LMNA (0.51) L3MBTL1ALDH1A1LMNAHDAC3HDAC4
Benzene SCHEMBL27414119 0.72 L3MBTL1 (0.56) TDP1L3MBTL1ALDH1A1CES2CES1
SCHEMBL28070706 0.72 L3MBTL1 (0.44) TDP1L3MBTL1ALDH1A1LMNAHDAC3
SCHEMBL396389 0.72 L3MBTL1 (0.56) TDP1L3MBTL1ALDH1A1CES2CES1
SCHEMBL9806266 0.72 HPGD (0.48) TDP1L3MBTL1ALDH1A1LMNAHDAC3

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-0017952-B1 PROCESS FOR THE PRODUCTION OF STYRYL-CYCLOPROPANECARBOXYLIC-ACID ESTERS, INTERMEDIATES THEREFOR AND PROCESS FOR THEIR PRODUCTION BAYER AG (DE) 1982-12-22 EP claimed
US-9650586-B2 Redox couple-based mitigation of fluid-flow-driven electrochemical surface degradation THE BOEING COMPANY (US) 2017-05-16 US disclosed
EP-3118288-A1 REDOX COUPLE-BASED MITIGATION OF ELECTROCHEMICAL SURFACE DEGRADATION IN PHOSPHATE-ESTER BASED HYDRAULIC SYSTEMS The Boeing Company (US) 2017-01-18 EP disclosed
US-9546338-B2 Redox couple-based mitigation of fluid-flow-driven electrochemical surface degradation THE BOEING COMPANY (US) 2017-01-17 US disclosed
EP-2829595-B1 Redox couple-based mitigation of fluid-flow-driven electrochemical surface degradation in phosphate-ester based hydraulic systems BOEING CO (US) 2016-09-14 EP disclosed
US-20160152919-A1 REDOX COUPLE-BASED MITIGATION OF FLUID-FLOW-DRIVEN ELECTROCHEMICAL SURFACE DEGRADATION THE BOEING COMPANY 2016-06-02 US disclosed
US-20150099677-A1 REDOX COUPLE-BASED MITIGATION OF FLUID-FLOW-DRIVEN ELECTROCHEMICAL SURFACE DEGRADATION THE BOEING COMPANY (US) 2015-04-09 US disclosed
EP-2829595-A1 Redox couple-based mitigation of fluid-flow-driven electrochemical surface degradation in phosphate-ester based hydraulic systems The Boeing Company (US) 2015-01-28 EP disclosed
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed