SCHEMBL8091206

SCHEMBL8091206

C=C(CC)c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
CYP3A4 P08684 2/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 1/20 0.47
GABRA1 P14867 3/20 0.44
GABRG2 P18507 3/20 0.44
GABRB3 P28472 3/20 0.44
GABRB1 P18505 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
SCHEMBL10455909 0.82 ALDH1A1 (0.50) POLBTDP1THRBRECQLL3MBTL1
SCHEMBL18484513 0.81 GABRA1 (0.50) POLBTDP1THRBRECQLL3MBTL1
SCHEMBL20156555 0.81 FLT1 (0.48) POLBTDP1THRBRECQLL3MBTL1
SCHEMBL992504 0.80 ALDH1A1 (0.48) POLBTDP1THRBRECQLL3MBTL1
SCHEMBL432702 0.78 MEN1 (0.55) POLBTDP1THRBRECQLL3MBTL1
SCHEMBL14404139 0.77 NOS2 (0.46) TDP1RECQLALDH1A1KMT2AMAPK1
SCHEMBL13689698 0.77 MEN1 (0.59) POLBTDP1THRBRECQLL3MBTL1
SCHEMBL20683682 0.77 RAB9A (0.41) POLBALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9664124 0.77 ALDH1A1 (0.50) POLBTDP1THRBRECQLL3MBTL1
SCHEMBL29712843 0.76 ALDH1A1 (0.69) POLBTDP1THRBRECQLL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053218-A1 DIOL COMPOUNDS AS INTERMEDIATES FOR PREPARING ANTIMYCOTIC COMPOUNDS ZAMBON GROUP S.p.A. (IT) 2000-11-22 EP disclosed
WO-1999029645-A1 DIOL COMPOUNDS AS INTERMEDIATES FOR PREPARING ANTIMYCOTIC COMPOUNDS ZAMBON GROUP S.P.A. (IT) 1999-06-17 WO disclosed