SCHEMBL9075277

SCHEMBL9075277

CC(O)COC1CC(C)(C)N(OC2CCCCC2)C(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.30
HTT P42858 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9040363 0.90 KDM4E (0.39) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL13460519 0.77 NPC1 (0.36)
SCHEMBL29180621 0.77 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL29180627 0.77 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL3108247 0.77 KDM4E (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL13328964 0.76 GAA (0.35) HTT
SCHEMBL13328965 0.76 TSHR (0.31)
SCHEMBL11141837 0.75 HTT (0.41) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL7935333 0.75 EPHX2 (0.31)
SCHEMBL25698444 0.74

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-5574162-A CONTAIN REACTIVE FUNCTIONAL GROUP, I.E., HYDROXY, AMINO, ISOCYANATO, GLYCIDYLOXY, TRIHYDROXYSILYL OR TRIALKOXYSILYL, WHICH CAN BE CHEMICALLY ATTACHED TO POLYMER SUBSTRATES CIBA-GEIGY CORPORATION (US) 1996-11-12 US disclosed
US-5442071-A Photostability CIBA-GEIGY CORPORATION (US) 1995-08-15 US disclosed