SCHEMBL3421156

SCHEMBL3421156

CC(c1ccccc1)(c1cc[c]c(OCCO)c1)c1cc[c]c(OCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.34
ACSS2 Q9NR19 4/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 2/20 0.32
ALOX15 P16050 1/20 0.32
TUBB1 Q9H4B7 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL5498995 0.76 ESR1 (0.47) ESR1ESR2ALDH1A1RECQLSMN1; SMN2
SCHEMBL3421153 0.75 ESR1 (0.41) ESR1ESR2ALDH1A1ALOX15MAPK1
SCHEMBL5503968 0.74 ESR1 (0.53) ESR1ESR2ALDH1A1RECQLSMN1; SMN2
SCHEMBL347297 0.73 ALDH1A1 (0.62) ESR1ESR2ALDH1A1RECQLSMN1; SMN2
SCHEMBL5504504 0.72 MCHR1 (0.40) ESR1ESR2ALDH1A1RECQLSMN1; SMN2
SCHEMBL3354835 0.72 ESR1 (0.55) ESR1ESR2ALDH1A1RECQLSMN1; SMN2
SCHEMBL27997482 0.72 ALDH1A1 (0.35) ALDH1A1RECQLSMN1; SMN2CYP3A4MEN1
SCHEMBL5501321 0.70 NR1H2 (0.39) ESR1ESR2ALDH1A1RECQLSMN1; SMN2
SCHEMBL5502192 0.70 ESR1 (0.42) ESR1ESR2ALDH1A1RECQLCYP3A4
SCHEMBL7386281 0.69 ALDH1A1 (0.37) ALDH1A1RECQLSMN1; SMN2CYP3A4KDM4E

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
EP-1806618-B1 POSITIVE PHOTOSENSITIVE INSULATING RESIN COMPOSITION AND CURED PRODUCT THEREOF JSR CORP (JP) 2010-06-09 EP claimed