SCHEMBL7714404

SCHEMBL7714404

CC(C)(C)OC(=O)Oc1cccc(I)c1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
BRD4 O60885 2/20 0.33
MTNR1A P48039 2/20 0.33
MTNR1B P49286 2/20 0.33
SCN9A Q15858 1/20 0.33
CA2 P00918 1/20 0.32
KDM1A O60341 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 2/20 0.31
EPHX2 P34913 2/20 0.31
GPR119 Q8TDV5 1/20 0.30
FABP7 O15540 1/20 0.30
FABP3 P05413 1/20 0.30
FABP5 Q01469 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
SCHEMBL7531090 0.83 ELANE (0.46) ELANEBRD4MTNR1AMTNR1BKDM1A
SCHEMBL27018562 0.79 ELANE (0.42) ELANEBRD4MTNR1AMTNR1BKDM1A
SCHEMBL27259478 0.78 ELANE (0.47) ELANEBRD4MTNR1AMTNR1BCA2
SCHEMBL16958578 0.78 ELANE (0.39) ELANEBRD4KDM1AKDM4E
SCHEMBL7711834 0.78 ELANE (0.39) ELANEBRD4CA2KDM1AKMT2A
SCHEMBL27913237 0.77 HTR1A (0.36) ELANEKDM4EHSD17B10KMT2A
SCHEMBL1792293 0.77 ELANE (0.46) ELANESCN9AKDM4EHPGDHSD17B10
SCHEMBL7882101 0.77 ELANE (0.38) ELANEBRD4CA2KMT2A
SCHEMBL2221010 0.76 ELANE (0.49) ELANEBRD4CA2KDM1AKDM4E
SCHEMBL4059205 0.76 ELANE (0.49) ELANEBRD4KDM4EHPGDHSD17B10

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-6369279-B1 STYRENE WITH ETHER OR FLUORINE GROUPS FOR POLYMERS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-04-09 US disclosed
US-6333436-B1 Styrene derivatives SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-12-25 US disclosed