SCHEMBL7224376

SCHEMBL7224376

C=C(Cc1cc(Br)cs1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 19/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
RXRB P28702 9/20 0.44
RXRG P48443 9/20 0.44
RARB P10826 5/20 0.44
RARG P13631 4/20 0.44
RARA P10276 3/20 0.44
CYP26A1 O43174 2/20 0.44
CYP26B1 Q9NR63 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL8318880 0.84 RXRA (0.57) RXRARXRBRXRGRARBRARG
SCHEMBL12517022 0.77 RXRA (0.52) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL13479239 0.75 RXRA (0.54) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8320121 0.74 RXRA (0.69) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL12517008 0.74 RXRA (0.52) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8012501 0.73 RXRA (0.51) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8324116 0.72 RXRA (0.49) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL8322151 0.72 RXRA (0.44) RXRARXRBRXRGRARBRARG
SCHEMBL7217242 0.71 RXRA (0.70) RXRAHDAC3HDAC4HDAC1HDAC7
SCHEMBL9177491 0.71 RXRA (0.70) RXRAHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6627652-B1 Treatment of diseases or conditions of the type which are normally treated with retinoid-like compounds is disclosed, with pharmaceutical compositions containing an active compound which is a selective agonist of the RXR retinoid ALLERGAN, INC. 2003-09-30 US disclosed
US-6624188-B1 Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and ALLERGAN, INC. 2003-09-23 US disclosed
EP-0688213-B1 TREATMENT OF TUMORS WITH COMPOUNDS HAVING RXR RETINOID RECEPTOR AGONIST ACTIVITY ALLERGAN INC (US) 2001-12-12 EP disclosed
EP-1159961-A2 Treatment of tumors with compounds having RxR retinoid receptor agonist activity ALLERGAN, INC. (US) 2001-12-05 EP disclosed
US-5399586-A Treatment of mammals afflicted with tumors with compounds having RXR retinoid receptor agonist activity ALLERGAN, INC. (US) 1995-03-21 US disclosed
US-5324840-A Skin disorders ALLERGAN, INC. (US) 1994-06-28 US disclosed