SCHEMBL4403313

SCHEMBL4403313

COc1cccc2ccc3c(c12)C1C=CC3C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 3/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 9/20 0.39
KMT2A Q03164 9/20 0.39
PPARG P37231 2/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
RXRA P19793 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
USP2 O75604 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL15586456 0.82 HTR2A (0.42) GAAKDM4EHTR2AHTR2CHTR2B
SCHEMBL4401578 0.73 HTR2A (0.36) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL10067901 0.72 CYP2A6 (0.33) ALDH1A1HPGDTDP1MEN1KMT2A
SCHEMBL443530 0.71 CA12 (0.55) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL29709902 0.71 CA12 (0.55) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL15773457 0.69 ADRA1A (0.43) HTR2AHTR2CHTR2B
SCHEMBL4403414 0.69 HTR2A (0.34) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL4402559 0.69 MTNR1A (0.43) HTR2AHTR2CHTR2BMTNR1AMTNR1B
SCHEMBL6153138 0.68 HTR2C (0.46) MEN1KMT2AHTR2AHTR2C
SCHEMBL4408093 0.68 MEN1 (0.39) MEN1KMT2AMTNR1AMTNR1B

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-8877422-B2 Resist underlayer film composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-04 US disclosed
US-20120108071-A1 RESIST UNDERLAYER FILM COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed