SCHEMBL11599668

SCHEMBL11599668

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

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
CYP3A4 P08684 4/20 0.67
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
TDP1 Q9NUW8 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 3/20 0.61
CYP2C19 P33261 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2D6 P10635 1/20 0.56
POLB P06746 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
NPSR1 Q6W5P4 2/20 0.53
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48

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
SCHEMBL750021 0.95 ALDH1A1 (0.61) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL12824121 0.92 ALDH1A1 (0.67) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL764894 0.92 ALDH1A1 (0.58) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL9474373 0.90 ALDH1A1 (0.64) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL14663002 0.90 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL14662860 0.90 ALDH1A1 (0.59) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL14048956 0.89 ALDH1A1 (0.63) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL8118553 0.89 CYP3A4 (0.58) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL14660286 0.86 ALDH1A1 (0.63) ALDH1A1CYP3A4MEN1KMT2ATDP1
SCHEMBL27632520 0.86 ALDH1A1 (0.68) ALDH1A1CYP3A4MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4097417-A Photocurable electroconductive coating composition NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1978-06-27 US disclosed