SCHEMBL13480504

SCHEMBL13480504

Cc1cc2c(cc1P)C(C)(C)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.42
RXRG P48443 10/20 0.42
RXRB P28702 9/20 0.42
RARA P10276 4/20 0.42
RARB P10826 4/20 0.42
RARG P13631 4/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MEN1 O00255 1/20 0.40
CYP26A1 O43174 1/20 0.40
ABCB11 O95342 1/20 0.40

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
SCHEMBL7622765 0.83 RXRA (0.48) RXRARXRGRXRBRARARARB
SCHEMBL11599145 0.74 RXRA (0.42) RXRARXRGRXRBRARARARB
SCHEMBL12955081 0.74 ESR1 (0.33) ESR1
SCHEMBL29539383 0.73 CYP3A4 (0.44) RXRARXRGRXRBRARARARB
SCHEMBL330594 0.73 CYP3A4 (0.44) RXRARXRGRXRBRARARARB
SCHEMBL3170254 0.73 RXRA (0.44) RXRARXRGRXRBRARARARB
SCHEMBL6477255 0.73 RXRA (0.42) RXRARXRGRXRBRARARARB
SCHEMBL6224470 0.73 RXRA (0.46) RXRARXRGRXRBRARARARB
SCHEMBL4666966 0.73 RXRA (0.44) RXRARXRGRXRBRARARARB
SCHEMBL23927691 0.71 RXRA (0.41) RXRARXRGRXRBRARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655699-B1 Compounds having selective activity for retinoid X receptors, and means for modulation of processes mediated by retinoid X receptors EISAI INC. (US) 2010-02-02 US disclosed