SCHEMBL9075122

SCHEMBL9075122

COc1ccc(OC)c2c1C=CC2CCC1C=Cc2c(OC)ccc(OC)c21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.32
HTR2A P28223 4/20 0.32
HTR2C P28335 4/20 0.32
HTR2B P41595 4/20 0.32
ADRA1A P35348 4/20 0.32
CA2 P00918 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTAFR P25105 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA4 P22748 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL17014295 0.76 NR3C1 (0.38) NR3C1ADRA1ACA2SMN1; SMN2PTAFR
SCHEMBL27282348 0.74 NR3C1 (0.33) NR3C1ADRA1ACA2PTAFRCA12
SCHEMBL28331513 0.74 NR3C1 (0.33) NR3C1ADRA1ACA2PTAFRCA12
Hydrochloric Acid SCHEMBL9440762 0.73 NR3C1 (0.32) NR3C1HTR2AHTR2CHTR2BADRA1A
Hydrochloric Acid SCHEMBL27636305 0.73 NR3C1 (0.32) NR3C1ADRA1ACA2PTAFRCA12
Hydrochloric Acid SCHEMBL6936792 0.73 NR3C1 (0.32) NR3C1HTR2AHTR2CHTR2BADRA1A
Hydrochloric Acid SCHEMBL28066485 0.73 NR3C1 (0.32) NR3C1ADRA1ACA2PTAFRCA12
SCHEMBL28343236 0.72 NR3C1 (0.32) NR3C1ADRA1A
Hydrochloric Acid SCHEMBL29911832 0.72 NR3C1 (0.32) NR3C1ADRA1A
SCHEMBL27610255 0.72 NR3C1 (0.32) NR3C1ADRA1A

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-5545785-A Process for preparing biscyclopentadienyl compounds WITCO GMBH (DE) 1996-08-13 US disclosed
US-5453221-A Bridged cyclopentadienylmagnesium compounds and use thereof for preparing metallocenes WITCO GMBH (DE) 1995-09-26 US disclosed