SCHEMBL22493967

SCHEMBL22493967

Cc1cc(C2(c3cc(C)c(OCC(O)COCC4CO4)c(C)c3)CCc3ccccc32)cc(C)c1OCC(O)COCC1CO1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 3/20 0.35
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
GLA P06280 1/20 0.33
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 2/20 0.31
MAPK1 P28482 1/20 0.30
ALOX15 P16050 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
SCHEMBL28406981 0.89 PRMT5 (0.35) PRMT5WDR77CYP2D6CYP1A2CYP3A4
SCHEMBL22493983 0.89 ALDH1A1 (0.36) PRMT5WDR77CYP2D6CYP1A2CYP3A4
SCHEMBL22493949 0.85 TDP1 (0.36) PRMT5WDR77CYP2D6CYP1A2CYP3A4
SCHEMBL22493944 0.85 ALDH1A1 (0.36) CYP3A4MEN1KMT2AALDH1A1GLA
SCHEMBL28403479 0.83 PRMT5 (0.34) PRMT5WDR77CYP2D6CYP1A2CYP3A4
SCHEMBL22493952 0.82 ESR1 (0.39) PRMT5WDR77CYP2D6CYP3A4CYP2C19
SCHEMBL12009499 0.79 TDP1 (0.44) PRMT5WDR77CYP1A2CYP3A4MEN1
SCHEMBL15835632 0.75 ESR1 (0.40) CYP2D6CYP3A4MEN1KMT2AALDH1A1
SCHEMBL21829164 0.75 ALDH1A1 (0.40) CYP3A4MEN1KMT2AALDH1A1GLA
SCHEMBL12009498 0.73 TDP1 (0.43) PRMT5WDR77CYP1A2CYP3A4MEN1

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-20200319549-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELEMENT HAVING CURED FILM, ORGANIC EL DISPLAY, AND METHOD FOR MANUFACTURING ORGANIC EL DISPLAY TORAY INDUSTRIES, INC. (JP) 2020-10-08 US disclosed