SCHEMBL18906930

SCHEMBL18906930

CC(O)C1(C)c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.40
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
ATM Q13315 1/20 0.35
RAB9A P51151 1/20 0.35
APEX1 P27695 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
S100A4 P26447 1/20 0.33
MAPT P10636 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL20143932 0.81 PDK2 (0.39) PDK2THRBTDP1ESR1ESR2
SCHEMBL12520339 0.79 PDK2 (0.41) PDK2THRBTDP1ESR1ESR2
SCHEMBL19976611 0.75 UGT2B7 (0.41) PDK2ATMALDH1A1
SCHEMBL22870182 0.74 ATM (0.37) PDK2THRBTDP1ATMRAB9A
SCHEMBL7821184 0.71 APEX1 (0.46) PDK2THRBTDP1ATMAPEX1
SCHEMBL23315086 0.71 CYP2D6 (0.35) PDK2THRBTDP1RAB9AAPEX1
SCHEMBL2239449 0.70 PDK2 (0.52) PDK2THRBTDP1ESR1ESR2
SCHEMBL30341830 0.70 PDK2 (0.52) PDK2THRBTDP1ESR1ESR2
SCHEMBL23936830 0.70 PDK2 (0.52) PDK2THRBTDP1ESR1ESR2
SCHEMBL19976612 0.70 TYMS (0.53) ALDH1A1KDM4E

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-20170153548-A1 RESIST UNDERLAYER FILM-FORMING COMPOSITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-01 US disclosed