SCHEMBL3434647

SCHEMBL3434647

CCC(C)(C)c1ccc(O)c(OC(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ESR1 P03372 3/20 0.40
ESR2 Q92731 2/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PIM1 P11309 1/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL23095180 0.87 ALDH1A1 (0.49) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL28418778 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL13609959 0.82 ESR1 (0.48) ALDH1A1KDM4EUSP2HPGDCYP2C19
SCHEMBL1636868 0.81 MAPK1 (0.60) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL3436061 0.80 MAOB (0.50) MAPK1MEN1KMT2ARAB9ALMNA
SCHEMBL24436828 0.79 CYP2C19 (0.67) ALDH1A1MEN1KMT2AKDM4EUSP2
SCHEMBL26085049 0.77 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL13898693 0.76 HSP90AA1 (0.50) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL14649773 0.75 CA12 (0.47) ALDH1A1MAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL1787793 0.75 TDP1 (0.52) ALDH1A1MEN1KMT2AHSD17B10NPC1

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-20120094235-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2012-04-19 US disclosed