SCHEMBL9553571

SCHEMBL9553571

COc1cc(C=CC(C)=O)ccc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.61
APP P05067 3/20 0.60
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
NFE2L2 Q16236 1/20 0.52
JUN P05412 1/20 0.52
NFKB1 P19838 1/20 0.52
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
ABCG2 Q9UNQ0 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A1 P04798 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL14342653 1.00 FDPS (0.61) FDPSAPPKMT2AKDM4EALDH1A1
SCHEMBL2553988 0.90 KDM4E (0.69) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL30656553 0.90 KDM4E (0.69) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL2553992 0.90 KDM4E (0.69) KMT2AKDM4EALDH1A1HPGDALOX15
SCHEMBL16972281 0.88 FDPS (0.47) FDPSAPPKMT2AKDM4EALDH1A1
SCHEMBL17529412 0.88 KMT2A (0.56) FDPSAPPKMT2AKDM4EALDH1A1
SCHEMBL16972280 0.88 FDPS (0.47) FDPSAPPKMT2AKDM4EALDH1A1
SCHEMBL23665036 0.87 KMT2A (0.54) FDPSAPPKMT2AKDM4EALDH1A1
SCHEMBL9553581 0.87 NFE2L2 (0.64) APPKMT2AKDM4EALDH1A1HPGD
SCHEMBL3860127 0.84 KMT2A (0.64) FDPSAPPKMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5208251-A Compounds for antiinflammatory agents, antiallergens, antiarthritic, antiulcer agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed
EP-0245825-B1 STYRYL PYRAZOLES, ISOXAZOLES AND ANALOGS THEREOF HAVING ACTIVITY AS 5-LIPOXY-GENASE INHIBITORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM WARNER-LAMBERT COMPANY (US) 1991-03-13 EP disclosed
US-4924002-A REACTION WITH MOLYBDENUM CARBONYL AND HYDRAZINE WARNER-LAMBERT COMPANY (US) 1990-05-08 US disclosed
US-4877881-A SUNSCREEN WARNER-LAMBERT COMPANY (US) 1989-10-31 US disclosed
EP-0245825-A1 Styryl pyrazoles, isoxazoles and analogs thereof having activity as 5-lipoxy-genase inhibitors and pharmaceutical compositions containing them WARNER-LAMBERT COMPANY (US) 1987-11-19 EP disclosed