SCHEMBL9310685

SCHEMBL9310685

CCC(C)(C)Oc1ncc([Ti])c(OC(C)(C)CC)n1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8387199 0.80 GAA (0.65) GAANPSR1ATMMEN1KMT2A
SCHEMBL22778842 0.71 ALDH1A1 (0.32) GAAALDH1A1
SCHEMBL22778729 0.66 ALDH1A1 (0.35) ALDH1A1
SCHEMBL25097017 0.66 EDNRB (0.36) NPSR1MEN1KMT2A
SCHEMBL22752309 0.63 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14618075 0.62 GAA (0.59) GAANPSR1ATMMEN1KMT2A
SCHEMBL4386266 0.58 CCR1 (0.37) KDM4EALDH1A1HPGD
SCHEMBL3817278 0.58 GAA (0.65) GAANPSR1ATMMEN1KMT2A
SCHEMBL14586465 0.58 GAA (0.65) GAANPSR1ATMMEN1KMT2A
SCHEMBL13049649 0.58 GAA (0.65) GAANPSR1ATMMEN1KMT2A

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-5340701-A Photoinitiators CIBA-GEIGY CORPORATION (US) 1994-08-23 US disclosed