SCHEMBL8722151

SCHEMBL8722151

[CH2]CCCc1c(C)[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.70
POLB P06746 1/20 0.70
HTT P42858 4/20 0.67
ALDH1A1 P00352 3/20 0.67
TSHR P16473 1/20 0.67
HTR6 P50406 1/20 0.63
MAPT P10636 5/20 0.59
CYP3A4 P08684 1/20 0.59
GAA P10253 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PABPC1 P11940 1/20 0.51
ALOX15 P16050 1/20 0.51
AHR P35869 1/20 0.50
KRAS P01116 1/20 0.49
GFER P55789 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.44

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
SCHEMBL9780083 0.91 HTT (0.69) KDM4EPOLBHTTALDH1A1TSHR
SCHEMBL8998008 0.84 KDM4E (0.72) KDM4EPOLBHTTALDH1A1TSHR
SCHEMBL4423600 0.83 MAPT (0.65) KDM4EPOLBHTTALDH1A1TSHR
SCHEMBL4921978 0.82 KDM4E (0.70) KDM4EPOLBHTTALDH1A1TSHR
SCHEMBL11287080 0.82 KDM4E (0.70) KDM4EPOLBHTTALDH1A1TSHR
SCHEMBL7436988 0.82 KDM4E (1.00) KDM4EPOLBHTTALDH1A1TSHR
SCHEMBL11227976 0.82 KDM4E (0.70) KDM4EPOLBHTTALDH1A1TSHR
SCHEMBL28138965 0.81 ALDH1A1 (0.71) KDM4EPOLBHTTALDH1A1TSHR
SCHEMBL8552151 0.81 ALDH1A1 (0.71) KDM4EPOLBHTTALDH1A1TSHR
SCHEMBL25658191 0.81 KDM4E (0.64) KDM4EPOLBHTTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5766556-A SUITABLE ENVIRONMENT FOR SIMULTANEOUS SYNTHESIS OF ORGANIC COMPOUNDS, INORGANIC COMPOUNDS AND ORGANOMETALLIC COMPOUNDS WARNER-LAMBERT COMPANY (US) 1998-06-16 US disclosed
US-5714127-A RESERVOIR RACKS WITH REACTION WELLS; GAS DISPERSION TUBES CONTAINING FILTERS; HOLDER BLOCK WITH APERTURES; MANIFOLD WARNER-LAMBERT COMPANY (US) 1998-02-03 US disclosed
US-5702672-A REACTION TUBE COMPRISING GAS DISPERSION TUBE HAVING GROUNG GLASS JOINT SECTION WARNER-LAMBERT COMPANY (US) 1997-12-30 US disclosed
US-5612002-A SYNTHESIS OF COMPOUNDS WARNER-LAMBERT COMPANY (US) 1997-03-18 US disclosed
US-5582801-A HAVING PLURALITY OF REACTION TUBES WITH FILTERS ON LOWER ENDS, RESERVOIR WITH MEANS FOR RECEIVING FILTERS, HOLDER FOR SUPPORTING TUBES, MANIFOLD ENCLOSING UPPER ENDS, FASTENERS HOLDING TOGETHER HOLDER AND MANIFOLD, HOLDER AND RESERVOIR WARNER-LAMBERT COMPANY (US) 1996-12-10 US disclosed
US-5567391-A MULTICOMPARTMENT CHEMICAL REACTORS WARNER-LAMBERT COMPANY (US) 1996-10-22 US disclosed
US-5565173-A USED FOR SOLID-PHASE SYNTHESIS WARNER-LAMBERT COMPANY (US) 1996-10-15 US disclosed