SCHEMBL12228708

SCHEMBL12228708

O=C(OC1CC2CC(C(=O)OCCC(F)(F)CC(F)F)C1C2)C1CC2C=CC1C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.32
POLB P06746 2/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
ESR2 Q92731 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL12198889 0.87 ALDH1A1 (0.41) ALDH1A1RAB9AKMT2APOLBAPEX1
SCHEMBL12939413 0.80
SCHEMBL12251216 0.80 ALDH1A1 (0.34) ALDH1A1RAB9AKMT2APOLBAPEX1
SCHEMBL13716132 0.78 ALDH1A1 (0.36) ALDH1A1RAB9AKMT2APOLBAPEX1
SCHEMBL12228737 0.78 ALDH1A1 (0.36) ALDH1A1RAB9AKMT2APOLBAPEX1
SCHEMBL12228728 0.77 ALDH1A1 (0.37) ALDH1A1RAB9AKMT2APOLBAPEX1
SCHEMBL17921271 0.77
SCHEMBL12939355 0.77
SCHEMBL12228724 0.76
SCHEMBL13764625 0.75 KDM4E (0.39) ALDH1A1RAB9AKMT2APOLBAPEX1

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-8043788-B2 Alkali soluble resin; immersion lithography SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-10-25 US disclosed