SCHEMBL11033935

SCHEMBL11033935

Oc1ccc(SCCCOCOCCSc2ccc(O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HSP90AA1 P07900 1/20 0.38
KCNH2 Q12809 1/20 0.38
CA2 P00918 3/20 0.38
NR1H2 P55055 1/20 0.37
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
RAB9A P51151 1/20 0.35
CYP19A1 P11511 4/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL51435 0.92 CA2 (0.42) LMNACTDSP1HSP90AA1KCNH2CA2
SCHEMBL16859777 0.90 CA2 (0.41) LMNACTDSP1HSP90AA1KCNH2CA2
SCHEMBL9147326 0.87 LMNA (0.46) LMNACTDSP1HSP90AA1KCNH2CA2
SCHEMBL51052 0.84 NR1H2 (0.46) LMNACTDSP1HSP90AA1KCNH2CA2
SCHEMBL1324576 0.84 LMNA (0.38) LMNACTDSP1HSP90AA1KCNH2CA2
SCHEMBL1727399 0.82 HSP90AA1 (0.47) LMNACTDSP1HSP90AA1KCNH2CA2
SCHEMBL8617352 0.80 LTA4H (0.49) LMNACTDSP1NR1H2RAB9AALDH1A1
SCHEMBL537146 0.80 LMNA (0.56) LMNACTDSP1HSP90AA1KCNH2CA2
SCHEMBL536376 0.80 LMNA (0.51) LMNACTDSP1HSP90AA1KCNH2CA2
SCHEMBL9750265 0.79 CA2 (0.41) LMNACTDSP1HSP90AA1KCNH2CA2

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-4538164-A LEUCO DYE, HYDROXYPHENOLIC ETHER DEVELOPER, OIL ABSORBING FILLER RICOH CO., LTD. (JP) 1985-08-27 US disclosed