SCHEMBL22493983

SCHEMBL22493983

Cc1cc(C2(c3ccc(OCC(O)COCC4CO4)c(C)c3)CCc3ccccc32)ccc1OCC(O)COCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
PRMT5 O14744 3/20 0.34
WDR77 Q9BQA1 3/20 0.34
KMT2A Q03164 7/20 0.33
MEN1 O00255 6/20 0.33
CYP1A2 P05177 4/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
ALOX15 P16050 1/20 0.32
MAPT P10636 2/20 0.32
CYP2C9 P11712 2/20 0.32
HPGD P15428 2/20 0.32
VDR P11473 1/20 0.32
POLB P06746 1/20 0.32
NPY1R P25929 1/20 0.31

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
SCHEMBL22493967 0.89 PRMT5 (0.35) ALDH1A1GLAPRMT5WDR77KMT2A
SCHEMBL28403479 0.86 PRMT5 (0.34) ALDH1A1GLAPRMT5WDR77CYP1A2
SCHEMBL21829164 0.85 ALDH1A1 (0.40) ALDH1A1GLAKMT2AMEN1KDM4E
SCHEMBL22493949 0.85 TDP1 (0.36) ALDH1A1PRMT5WDR77KMT2AMEN1
SCHEMBL28406981 0.83 PRMT5 (0.35) ALDH1A1GLAPRMT5WDR77CYP1A2
SCHEMBL22493976 0.82 ESR1 (0.43) ALDH1A1GLAKMT2AMEN1CYP1A2
SCHEMBL12009499 0.79 TDP1 (0.44) ALDH1A1PRMT5WDR77KMT2AMEN1
SCHEMBL22493968 0.77 ALDH1A1 (0.33) ALDH1A1GLASMN1; SMN2CYP3A4POLB
SCHEMBL22493944 0.75 ALDH1A1 (0.36) ALDH1A1GLAKMT2AMEN1KDM4E
SCHEMBL12009498 0.74 TDP1 (0.43) ALDH1A1PRMT5WDR77KMT2AMEN1

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