SCHEMBL12228705

SCHEMBL12228705

O=C(OCC(F)(F)C(F)(F)CC(F)(F)F)C1CC2C=CC1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 3/20 0.41
POLB P06746 3/20 0.40
HSD17B10 Q99714 2/20 0.40
APEX1 P27695 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
ESR2 Q92731 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL12228706 0.96 ALDH1A1 (0.41) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL145490 0.87 ALDH1A1 (0.46) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL5856448 0.87 ALDH1A1 (0.48) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12228696 0.85 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL14133965 0.84 ALDH1A1 (0.44) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12228709 0.84 ALDH1A1 (0.46) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12228702 0.84 ALDH1A1 (0.42) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12250694 0.83 ALDH1A1 (0.44) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL543629 0.82 ALDH1A1 (0.47) ALDH1A1RAB9AKMT2APOLBHSD17B10
SCHEMBL12250699 0.82 ALDH1A1 (0.43) ALDH1A1RAB9AKMT2APOLBHSD17B10

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