SCHEMBL58552

SCHEMBL58552

COc1cc(N(C(=O)O)C(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.33
UCHL1 P09936 1/20 0.33
NR1I2 O75469 1/20 0.33
DGAT1 O75907 1/20 0.32
CXCR2 P25025 1/20 0.32
EGFR P00533 2/20 0.31
CSF1R P07333 1/20 0.31
HIF1A Q16665 1/20 0.30
F2 P00734 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL17783165 0.84 HIF1A (0.37) LIPEUCHL1EGFRCSF1RHIF1A
SCHEMBL276100 0.82 CXCR2 (0.34) LIPECXCR2F2F11PRSS1
SCHEMBL3766206 0.80 LIPE (0.32) LIPECXCR2F2F11PRSS1
SCHEMBL31651749 0.79 USP30 (0.38) LIPEUCHL1NR1I2DGAT1EGFR
SCHEMBL28892512 0.79 EGFR (0.35) UCHL1EGFR
SCHEMBL28913007 0.79 LIPE (0.31) LIPECXCR2
SCHEMBL18896594 0.79 USP30 (0.38) LIPEUCHL1NR1I2DGAT1EGFR
SCHEMBL31651926 0.77 NQO2 (0.36) EGFRCSF1R
SCHEMBL9938876 0.77 UCHL1 (0.33) UCHL1CSF1R
SCHEMBL17102719 0.76 ALDH1A1 (0.45)

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-8143393-B2 Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER HEALTHCARE LLC (US) 2012-03-27 US disclosed