SCHEMBL17829489

SCHEMBL17829489

C=C(C)C(=O)Oc1ccc(OCC(F)(F)CC(F)(F)CNCC(C)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PAX8 Q06710 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR174 Q9BXC1 1/20 0.31
DGAT1 O75907 3/20 0.31
SSTR4 P31391 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL17829485 0.92 ELANE (0.39) ELANEKMT2AATMMEN1LMNA
SCHEMBL17829483 0.86 ELANE (0.44) ELANEKMT2AATMMEN1LMNA
SCHEMBL17829484 0.77 CHRNB2 (0.37)
SCHEMBL15292838 0.72 ELANE (0.46) ELANEKMT2AATMLMNAPOLB
SCHEMBL14330806 0.71 ELANE (0.45) ELANEKMT2AATMMEN1LMNA
SCHEMBL12356884 0.70 ELANE (0.49) ELANEKMT2AATMLMNAPOLB
SCHEMBL14330802 0.69 ELANE (0.46) ELANEKMT2AATMMEN1POLB
SCHEMBL9998799 0.69 ELANE (0.48) ELANEKMT2AATMLMNAPOLB
SCHEMBL12357104 0.69 ELANE (0.55) ELANEKMT2AATMMEN1POLB
SCHEMBL56436 0.68 ELANE (0.69) ELANEKMT2AATMMEN1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170226250-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-10 US disclosed
US-20170097567-A1 METHOD FOR PRODUCING POLYMER SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-04-06 US disclosed
US-20160229940-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20160168296-A1 POLYMER, RESIST COMPOSITION, AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-16 US disclosed