SCHEMBL3047696

SCHEMBL3047696

OCc1ccc2c(c1)Cc1c(CO)cccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.48
PNMT P11086 1/20 0.46
CHEK1 O14757 4/20 0.44
HSP90AA1 P07900 2/20 0.39
PDK2 Q15119 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
S1PR1 P21453 1/20 0.34
PDCD1 Q15116 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
SCHEMBL28541741 0.83 HSP90AA1 (0.58) PGRPNMTCHEK1HSP90AA1PDK2
SCHEMBL263230 0.81 PNMT (0.68) PGRPNMTCHEK1PDK2ALDH1A1
SCHEMBL29008215 0.78 CHEK1 (0.44) CHEK1PDK2GPR84TSHRALDH1A1
SCHEMBL2965416 0.78 TSHR (0.55) PDK2GPR84TSHRALDH1A1ATM
SCHEMBL876624 0.77 PNMT (0.46) PGRPNMTCHEK1HSP90AA1GPR84
Alcohol SCHEMBL28301361 0.77 PNMT (0.62) PGRPNMTCHEK1HSP90AA1ALDH1A1
SCHEMBL3051643 0.73 TSHR (0.42) CHEK1PDK2GPR84TSHRALDH1A1
Acetic Acid SCHEMBL28541738 0.73 PNMT (0.57) PGRPNMTCHEK1HSP90AA1ALDH1A1
SCHEMBL28726783 0.73 PNMT (0.61) PGRPNMTCHEK1PDK2ALDH1A1
SCHEMBL26420412 0.72 ALDH1A1 (0.50) PGRPNMTHSP90AA1GPR84TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338078-B2 Photoresist undercoat-forming material and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-12-25 US disclosed
US-20100104977-A1 PHOTORESIST UNDERCOAT-FORMING MATERIAL AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-04-29 US disclosed