SCHEMBL8202817

SCHEMBL8202817

CC1(C)CCC(C)(C)c2cc(C(F)(F)F)c(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.40
AR P10275 6/20 0.35
RARB P10826 3/20 0.35
RARG P13631 3/20 0.35
RARA P10276 2/20 0.35
NOTUM Q6P988 1/20 0.33
HNF4A P41235 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXRB P28702 2/20 0.30
CYP26A1 O43174 1/20 0.30
RXRG P48443 1/20 0.30
PGR P06401 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
SCHEMBL8200212 0.86 RXRA (0.42) RXRARARBRARGRARARXRB
SCHEMBL6678059 0.79 RXRA (0.49) RXRARARBRARGRARARXRB
SCHEMBL3170254 0.75 RXRA (0.44) RXRARARBRARGRARAMEN1
SCHEMBL14492576 0.74 RXRA (0.42) RXRAARRARBRARGNOTUM
SCHEMBL24809295 0.74 RXRA (0.42) RXRARARBRARGRARARXRB
SCHEMBL29608697 0.73 RXRA (0.45) RXRARARBRARGRARARXRB
SCHEMBL25129965 0.73 RXRA (0.45) RXRARARBRARGRARARXRB
SCHEMBL2965251 0.71 NOTUM (0.41) NOTUMMEN1NPC1MAPTHTT
SCHEMBL5846259 0.69 RXRA (0.46) RXRARARBRARGRARARXRB
SCHEMBL31675854 0.69 RXRA (0.42) RXRARARBRARGRARAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997455-A1 Restricted 9-cis retenoids American Cyanamid Company (US) 2000-05-03 EP disclosed
US-5968908-A Restricted 9-cis retinoids AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
EP-0718285-A2 Restricted 9-cis-retinoids American Cyanamid Company (US) 1996-06-26 EP disclosed