SCHEMBL8047739

SCHEMBL8047739

O=C(OC(OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
KLK7 P49862 8/20 0.53
CHRM2 P08172 3/20 0.49
CHRM1 P11229 3/20 0.49
CHRM3 P20309 3/20 0.49
CHRM4 P08173 2/20 0.49
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL8853492 0.91 ESR1 (0.49) L3MBTL1TDP1KLK7CHRM2CHRM1
SCHEMBL8037690 0.86 ALDH1A1 (0.63) L3MBTL1KLK7POLBALDH1A1KMT2A
SCHEMBL8047756 0.83 KMT2A (0.53) L3MBTL1KLK7CHRM2CHRM1CHRM3
SCHEMBL8941675 0.83 ELANE (0.50) L3MBTL1KLK7CHRM2CHRM1CHRM3
SCHEMBL5968318 0.83 L3MBTL1 (0.54) L3MBTL1TDP1KLK7CHRM2CHRM1
SCHEMBL27718810 0.81 KLK7 (0.60) L3MBTL1TDP1KLK7CHRM2CHRM1
SCHEMBL9619689 0.81 KMT2A (0.48) L3MBTL1KLK7ALDH1A1CYP3A4LMNA
SCHEMBL27965064 0.81 L3MBTL1 (0.52) L3MBTL1TDP1KLK7CHRM2CHRM1
SCHEMBL27389855 0.80 L3MBTL1 (0.56) L3MBTL1TDP1KLK7CHRM2CHRM1
SCHEMBL29209420 0.79 L3MBTL1 (0.60) L3MBTL1TDP1KLK7CHRM2CHRM1

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-5648196-A Water-soluble photoinitiators CORNELL RESEARCH FOUNDATION, INC. (US) 1997-07-15 US claimed
US-6013413-A Alicyclic nortricyclene polymers and co-polymers CORNELL RESEARCH FOUNDATION, INC. (US) 2000-01-11 US disclosed
US-5648196-A Water-soluble photoinitiators CORNELL RESEARCH FOUNDATION, INC. (US) 1997-07-15 US disclosed
US-5585223-A RADIATION ACTIVATION; HEATING; ETCHING CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-17 US disclosed
US-5532106-A MICROELECTRONICS WITH POLYMERS, PHOTOACTIVE AGENTS AND DISSOLUTION INHIBITORS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-07-02 US disclosed