SCHEMBL21089712

SCHEMBL21089712

CCC1(COc2ccc(Oc3ccc(OCC4(CC)COC4)cc3)cc2)COC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 9/20 0.40
TSHR P16473 2/20 0.37
NQO1 P15559 1/20 0.35
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ACACB O00763 1/20 0.32
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2A P28223 1/20 0.32
SCN1A P35498 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
SCN2A Q99250 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL36226 0.94 TSHR (0.40) LTA4HTSHRNQO1POLBHSD17B10
SCHEMBL13301302 0.94 LTA4H (0.51) LTA4HTSHRMEN1KMT2AHRH3
SCHEMBL36335 0.89 TSHR (0.37) TSHRNQO1POLBHSD17B10MEN1
SCHEMBL1127852 0.88 TSHR (0.39) TSHRNQO1MEN1KMT2AALDH1A1
SCHEMBL12227651 0.86 FKBP1A (0.41) TSHRPOLBMEN1KMT2AACACB
SCHEMBL10071618 0.86 TSHR (0.37) TSHRMEN1KMT2AALDH1A1USP2
SCHEMBL21074919 0.86 APP (0.41) TSHRNQO1POLBHSD17B10MEN1
SCHEMBL15334058 0.86 LTA4H (0.38) LTA4HTSHRACACBCYP1A2HRH3
SCHEMBL240811 0.86 TDP1 (0.48) LTA4HTSHRMAPK1ALDH1A1
SCHEMBL1128046 0.86 CYP1A2 (0.39) TSHRPOLBHSD17B10MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357488-A1 CURABLE RESIN COMPOSITION CANON KK (JP) 2023-11-09 US disclosed
US-20230357488-A1 CURABLE RESIN COMPOSITION CANON KK (JP) 2023-11-09 US disclosed
US-20190177469-A1 CURABLE RESIN COMPOSITION CANON KABUSHIKI KAISHA (JP) 2019-06-13 US disclosed