SCHEMBL8200212

SCHEMBL8200212

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 16/20 0.42
RARB P10826 8/20 0.37
RARG P13631 8/20 0.37
RARA P10276 6/20 0.37
RXRB P28702 10/20 0.33
RXRG P48443 8/20 0.33
CYP26A1 O43174 2/20 0.32
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
CYP3A4 P08684 1/20 0.30
CRABP2 P29373 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
SCHEMBL8202817 0.86 RXRA (0.40) RXRARARBRARGRARARXRB
SCHEMBL6678059 0.84 RXRA (0.49) RXRARARBRARGRARARXRB
SCHEMBL29608697 0.77 RXRA (0.45) RXRARARBRARGRARARXRB
SCHEMBL25129965 0.77 RXRA (0.45) RXRARARBRARGRARARXRB
SCHEMBL5846259 0.74 RXRA (0.46) RXRARARBRARGRARARXRB
SCHEMBL31675854 0.74 RXRA (0.42) RXRARARBRARGRARARXRB
SCHEMBL24809295 0.74 RXRA (0.42) RXRARARBRARGRARARXRB
SCHEMBL10960530 0.74 RXRA (0.42) RXRARARBRARGRARARXRB
SCHEMBL11599145 0.72 RXRA (0.42) RXRARARBRARGRARARXRB
SCHEMBL22838113 0.71 RXRA (0.47) RXRARARBRARGRARARXRB

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