SCHEMBL8667178

SCHEMBL8667178

C=C1C(C)=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@H](Br)[C@@H]2S1(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ELANE P08246 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8667176 1.00 ESR1 (0.34) ESR1ESR2ELANEKDM4EALDH1A1
SCHEMBL9460459 0.87 ELANE (0.43) ESR1ESR2ELANEKDM4EALDH1A1
SCHEMBL8668726 0.87 ELANE (0.43) ESR1ESR2ELANEKDM4EALDH1A1
SCHEMBL7360743 0.80 KMT2A (0.36) ESR1ESR2ELANEKDM4EALDH1A1
SCHEMBL8667175 0.80 ELANE (0.49) ESR1ESR2ELANE
SCHEMBL9461074 0.80 ELANE (0.49) ESR1ESR2ELANE
SCHEMBL7360746 0.80 KMT2A (0.36) ESR1ESR2ELANEKDM4EALDH1A1
SCHEMBL8668549 0.78 ELANE (0.33) ELANE
SCHEMBL8668553 0.78 ELANE (0.33) ELANE
SCHEMBL9637314 0.77 ESR1 (0.38) ESR1ESR2ELANEKDM4EALDH1A1

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-0494914-B1 2-SPIROCYCLOPROPYL CEPHALOSPORIN DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LAB INC (CA) 1998-12-23 EP disclosed
US-5264430-A Enzyme inhibitor, antiinflammatory agents, treats emphysema, cystic fibrosis and arthritis SYNPHAR LABORATORIES, INC. (CA) 1993-11-23 US disclosed
US-5264429-A Enzyme inhibitor, antiinflammatory agents, treats emphysema, cystic fibrosis and arthritis SYNPHAR LABORATORIES, INC. (CA) 1993-11-23 US disclosed
WO-1991004977-A1 NOVEL 2-SPIROCYCLOPROPYL CEPHALOSPORIN SULFONE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES, INC. (CA) 1991-04-18 WO disclosed