SCHEMBL6232078

SCHEMBL6232078

C[S+](C)c1ccc(O)c2cc(O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HTT P42858 2/20 0.41
NR1I2 O75469 2/20 0.41
CYP2C9 P11712 2/20 0.41
MIF P14174 1/20 0.41
TYR P14679 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ESR1 P03372 6/20 0.37
ESR2 Q92731 6/20 0.37
MAOB P27338 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK2A1 P68400 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL29420741 0.92 ALDH1A1 (0.41) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL794898 0.92 ALDH1A1 (0.41) ALDH1A1LMNAALOX15HSD17B10HTT
Hydrochloric Acid SCHEMBL31497694 0.90 ALDH1A1 (0.39) ALDH1A1LMNAALOX15HSD17B10HTT
Hydrochloric Acid SCHEMBL31497693 0.90 ALDH1A1 (0.39) ALDH1A1LMNAALOX15HSD17B10HTT
Trifluoromethanesulfonic Acid SCHEMBL5827351 0.83 PTGS1 (0.37) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL19469378 0.80 ESR1 (0.33) ALDH1A1LMNAALOX15HSD17B10HTT
Trifluoromethanesulfonic Acid SCHEMBL3287542 0.78 HSD17B10 (0.34) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL7783966 0.78 IDO1 (0.50) ALDH1A1LMNAALOX15HSD17B10HTT
SCHEMBL132348 0.77 IDO1 (0.59) LMNAALOX15HSD17B10HTTMAPT
SCHEMBL29420748 0.77 IDO1 (0.59) LMNAALOX15HSD17B10HTTMAPT

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
EP-1516229-A2 PHOTORESIST COMPOSITION FOR DEEP ULTRAVIOLET LITHOGRAPHY COMPRISING A MIXTURE OF PHOTOACTIVE COMPOUNDS AZ Electronic Materials USA Corp. (US) 2005-03-23 EP disclosed
WO-2003107093-A2 PHOTORESIST COMPOSITION FOR DEEP ULTRAVIOLET LITHOGRAPHY COMPRISING A MIXTURE OF PHOTOACTIVE COMPOUNDS CLARIANT INTERNATIONAL LTD (CH) 2003-12-24 WO disclosed