SCHEMBL7020601

SCHEMBL7020601

COC(C)(C)O[C@H]1C(=O)N(C(=O)OCc2ccccc2)[C@H]1C=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTR2C P28335 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HTT P42858 1/20 0.36
PDE1C Q14123 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL7020603 1.00 ELANE (0.38) ELANEALDH1A1HTR2CPSEN1PSEN2
SCHEMBL6151882 0.82 ELANE (0.35) ELANEALDH1A1
SCHEMBL6151883 0.82 ELANE (0.35) ELANEALDH1A1
SCHEMBL6860240 0.81 ELANE (0.47) ELANEALDH1A1HTR2CHTTPDE1C
SCHEMBL6860243 0.81 ELANE (0.47) ELANEALDH1A1HTR2CHTTPDE1C
SCHEMBL6150759 0.78 ELANE (0.31) ELANE
SCHEMBL6150760 0.78 ELANE (0.31) ELANE
SCHEMBL30904956 0.65 ELANE (0.43) ELANEHTR2CPDE1C
SCHEMBL12571331 0.65 HTR2C (0.48) ELANEALDH1A1HTR2CPSEN1PSEN2
SCHEMBL23744030 0.65 HTR2C (0.45) ELANEALDH1A1HTR2CPSEN1PSEN2

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
EP-0668762-B1 ISOBUTENYL-SUBSTITUTED TAXANES AND THEIR PHARMACEUTICAL COMPOSITIONS UNIV FLORIDA STATE (US) 2003-09-17 EP disclosed
US-6005138-A ANTILEUKEMIA AND ANTITUMOR AGENTS FLORIDA STATE UNIVERSITY (US) 1999-12-21 US disclosed