SCHEMBL15048618

SCHEMBL15048618

C1=Cc2cccc3cccc1c23.C=Cc1ccc(OC)cc1.C=Cc1ccccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.45
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
RRM1 P23921 1/20 0.39
MAOB P27338 3/20 0.37
MAPT P10636 3/20 0.37
CASP3 P42574 2/20 0.37
SENP8 Q96LD8 2/20 0.37
SENP7 Q9BQF6 2/20 0.37
SENP6 Q9GZR1 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAOA P21397 1/20 0.37
CYP2C19 P33261 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
NFE2L2 Q16236 2/20 0.35
MEN1 O00255 4/20 0.35
LMNA P02545 4/20 0.35
KMT2A Q03164 4/20 0.35

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
SCHEMBL15048556 0.87 RRM1 (0.36) RRM1MAPTNFE2L2MEN1LMNA
4-Vinylphenol SCHEMBL2190252 0.86 S100B (0.46) RELAABL1ABCB1BCRRRM1
Styrene SCHEMBL15048584 0.86 ALDH1A1 (0.41) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL15048521 0.85 RELA (0.54) RELAABL1ABCB1BCRMAOB
SCHEMBL547158 0.85 RELA (0.32) RELAABL1ABCB1BCR
SCHEMBL546354 0.84 TRIM24 (0.38) RELAMAPTNFE2L2MEN1KMT2A
SCHEMBL16895027 0.84 MAPT (0.36) MAOBMAPTCASP3SENP8SENP7
4-Vinylphenol SCHEMBL2191047 0.79 S100B (0.39) RELAABL1ABCB1BCRRRM1
Indene SCHEMBL15048570 0.79 RELA (0.40) RELAABL1ABCB1BCRMAOB
4-Vinylphenol SCHEMBL2195434 0.76 S100B (0.37) RRM1MAPTABCG2MEN1LMNA

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-8470509-B2 Negative resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-06-25 US disclosed