SCHEMBL7201077

SCHEMBL7201077

COc1ccc(OCCC(C)CCCC(C)C)c(C(Cl)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
CYP2D6 P10635 2/20 0.38
ALOX5 P09917 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA1A P35348 2/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL5886067 0.90 ALOX5 (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7114046 0.84 RARB (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7030818 0.82 MTNR1B (0.40) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7111616 0.81 TDP1 (0.37) ALOX5TDP1FDPSHTT
SCHEMBL3124248 0.80 PDPK1 (0.34) CYP1A2CYP2D6ALOX5ADRA2AADRA1A
SCHEMBL489290 0.80 ALOX5 (0.38) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7114196 0.79 MEN1 (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL4966397 0.77 TDP1 (0.51) L3MBTL1ALOX5ALDH1A1SMN1; SMN2TDP1
SCHEMBL8931239 0.77 CYSLTR2 (0.58) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL19121967 0.76 MEN1 (0.47) MEN1KMT2ACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605693-B1 Triptycene polymers and copolymers COVION ORGANIC SEMICONDUCTORS GMBH (DE) 2003-08-12 US disclosed
EP-0963686-B1 ORGANIC ELECTROLUMINESCENT DEVICE KONINKL PHILIPS ELECTRONICS NV (NL) 2001-12-12 EP disclosed
US-6054725-A Organic electroluminescent device U.S. PHILIPS CORPORATION (US) 2000-04-25 US disclosed
EP-0963686-A1 ORGANIC ELECTROLUMINESCENT DEVICE Koninklijke Philips Electronics N.V. (NL) 1999-12-15 EP disclosed
WO-1999016289-A1 ORGANIC ELECTROLUMINESCENT DEVICE KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 1999-04-01 WO disclosed