SCHEMBL20144310

SCHEMBL20144310

CC(C)(c1ccccc1)c1ccc(OC(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 7/20 0.47
KDM4E B2RXH2 8/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 6/20 0.45
TDP1 Q9NUW8 1/20 0.44
HTT P42858 3/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 1/20 0.41
AR P10275 1/20 0.41

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
SCHEMBL6515056 0.87 ALDH1A1 (0.52) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL11578590 0.84 ALDH1A1 (0.52) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL11579049 0.82 ALDH1A1 (0.50) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL607524 0.82 SMN1; SMN2 (0.47) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL10949753 0.80 SMN1; SMN2 (0.47) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL333514 0.78 HIF1A (0.45) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL5201053 0.77 SMN1; SMN2 (0.61) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL10760022 0.77 ALDH1A1 (0.58) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL11226988 0.77 ALDH1A1 (0.58) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2
SCHEMBL11579850 0.77 SMN1; SMN2 (0.45) ALDH1A1ESR1ESR2CYP3A4SMN1; SMN2

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-20240416578-A1 LAYER FORMING COMPOSITION, FILM FORMING METHOD, AND ARTICLE MANUFACTURING METHOD CANON KABUSHIKI KAISHA (JP) 2024-12-19 US disclosed
EP-3321250-A1 ELECTROCHEMICAL METHOD FOR THE PRODUCTION OF ARYLALKYLCARBONATES AND DIARYL CARBONATES Covestro Deutschland AG (DE) 2018-05-16 EP disclosed