SCHEMBL21775772

SCHEMBL21775772

Cc1ccc(C(c2cc(C)c(OCCO)c(C)c2)c2cc(C)c(OCCO)c(C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
BRD4 O60885 2/20 0.34
RECQL P46063 1/20 0.32
DHPS P49366 1/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN4A P35499 2/20 0.31
GAA P10253 2/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
CREBBP Q92793 1/20 0.31
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL23627430 0.88 HTR1A (0.36) HTR1AALDH1A1KDM4EBRD4RECQL
SCHEMBL21775766 0.80 SCN8A (0.39) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL14416508 0.78 HTR1A (0.42) HTR1AALDH1A1KDM4ESMN1; SMN2BRD4
SCHEMBL3398525 0.77 HTR1A (0.58) HTR1AALDH1A1KDM4EBRD4KMT2A
SCHEMBL21775788 0.76 ALDH1A1 (0.33) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL21775909 0.76 MAOA (0.34) ALDH1A1KDM4EL3MBTL1SCN4AGAA
SCHEMBL21775834 0.75 TSHR (0.36) HTR1AALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL28406717 0.75 HTR1A (0.40) HTR1AALDH1A1KDM4EBRD4RECQL
SCHEMBL21775754 0.74 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL17565197 0.73 HTR1A (0.40) HTR1AALDH1A1BRD4RECQLKMT2A

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
WO-2020040161-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO disclosed