SCHEMBL7052219

SCHEMBL7052219

CC=Cc1cccc2c(=O)c(C)c(C(=O)NC)oc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.46
ESR1 P03372 1/20 0.46
MCL1 Q07820 1/20 0.36
GLA P06280 1/20 0.35
STING1 Q86WV6 1/20 0.35
KDM1A O60341 2/20 0.35
CAPN1 P07384 4/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
GAA P10253 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL7052218 1.00 ESR2 (0.46) ESR2ESR1MCL1GLASTING1
SCHEMBL7052306 0.86 MCL1 (0.51) ESR2ESR1MCL1GLASTING1
SCHEMBL7051173 0.86 ESR2 (0.46) ESR2ESR1MCL1GLASTING1
SCHEMBL7051172 0.86 ESR2 (0.46) ESR2ESR1MCL1GLASTING1
SCHEMBL7052303 0.86 MCL1 (0.51) ESR2ESR1MCL1GLASTING1
SCHEMBL7052379 0.85 ESR2 (0.45) ESR2ESR1MCL1GLASTING1
SCHEMBL7052373 0.85 ESR2 (0.45) ESR2ESR1MCL1GLASTING1
SCHEMBL7048934 0.85 ESR2 (0.45) ESR2ESR1MCL1GLASTING1
SCHEMBL7052370 0.85 ESR2 (0.45) ESR2ESR1MCL1GLASTING1
SCHEMBL7048937 0.85 ESR2 (0.45) ESR2ESR1MCL1GLASTING1

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-1222183-B1 BENZOPYRAN DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-04-23 EP disclosed
EP-1222183-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.p.a. (IT) 2002-07-17 EP disclosed
US-6403594-B1 UROGENTIAL INFECTIONS, ETC RECORDATI, S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-11 US disclosed
WO-2001029022-A1 BENZOPYRAN DERIVATIVES RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA SPA (IT) 2001-04-26 WO disclosed