SCHEMBL9380754

SCHEMBL9380754

CCC=C(CC)C(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.42
MAPT P10636 2/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP19A1 P11511 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
SCHEMBL20174129 0.86 ELANE (0.45) ELANEMAPTZDHHC2MEN1KMT2A
SCHEMBL1336622 0.86 ELANE (0.45) ELANEMAPTZDHHC2MEN1KMT2A
SCHEMBL28350545 0.85 SMN1; SMN2 (0.43) MAPTKMT2ARAB9AALDH1A1NPC1
SCHEMBL29037546 0.85 ELANE (0.40) ELANEMAPTZDHHC2MEN1KMT2A
SCHEMBL7585128 0.83 MEN1 (0.36) ELANEMAPTMEN1KMT2ARECQL
SCHEMBL28972563 0.83 LMNA (0.45) ALDH1A1L3MBTL1TDP1
SCHEMBL28803483 0.83 ELANE (0.42) ELANEMAPTZDHHC2MEN1KMT2A
SCHEMBL28348713 0.81 KMT2A (0.51) ELANEMAPTMEN1KMT2ARECQL
SCHEMBL15941383 0.81 ELANE (0.41) ELANEMAPTZDHHC2MEN1KMT2A
SCHEMBL432377 0.81 ELANE (0.42) ELANEMAPTZDHHC2MEN1KMT2A

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
EP-0436199-B1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LAB (US) 1994-08-03 EP disclosed
US-5120752-A N-(1-(20(3-pyridyloxy)phenyl)cyclopropyl) alkyl-N-hydroxyurea compounds, antiinflammatory agents ABBOTT LABORATORIES (US) 1992-06-09 US disclosed
US-5037853-A Antiinflammatory agents ABBOTT LABORATORIES (US) 1991-08-06 US disclosed
EP-0436199-A1 Cyclopropyl derivative lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1991-07-10 EP disclosed