SCHEMBL6582033

SCHEMBL6582033

C=CCN(C(=O)COCCCCCCCC)c1cc(CCCC)ccc1C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.36
PPARG P37231 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
THRB P10828 5/20 0.34
THRA P10827 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
KAT8 Q9H7Z6 2/20 0.34
RARB P10826 1/20 0.34
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 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
SCHEMBL6579894 0.87 ALDH1A1 (0.40) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6579068 0.84 HPGD (0.38) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL6582332 0.84 SMN1; SMN2 (0.43) ALDH1A1TP53MEN1KMT2A
SCHEMBL27511944 0.84 PPARA (0.43) PPARAPPARGMEN1KMT2AKAT8
SCHEMBL27496205 0.81 PPARA (0.40) PPARAPPARGKAT8RARB
SCHEMBL6579039 0.75 ALDH1A1 (0.43) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6579572 0.75 ALDH1A1 (0.43) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6579280 0.74 CYP1A2 (0.37) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6579046 0.74 LMNA (0.35) TSHRALDH1A1LMNATP53CYP3A4
SCHEMBL6581167 0.74 LMNA (0.35) TSHRALDH1A1LMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161337-C Chinolinelone derivative, its prepn. method and antiabnormal reaction agent ���ձ���ī��ѧ��ҵ��ʽ���� 2004-08-11 CN disclosed
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed
CN-1221738-A Chinolinelone derivative, its prepn. method and antiabnormal reaction agent DAINIPPON INK & CHEMICALS (JP) 1999-07-07 CN disclosed