SCHEMBL7174242

SCHEMBL7174242

CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)NO)cc3)c(OCc3ccccc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 13/20 0.60
HNF4A P41235 4/20 0.60
HDAC1 Q13547 3/20 0.55
SMPD1 P17405 3/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
RARA P10276 2/20 0.48
RARB P10826 2/20 0.48
RARG P13631 2/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
PTGES O14684 1/20 0.45

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
SCHEMBL6913691 0.91 RXRA (0.55) RXRAHNF4AHDAC1SMPD1HDAC8
SCHEMBL6913428 0.89 RXRA (0.53) RXRAHNF4AHDAC1SMPD1HDAC8
SCHEMBL7173098 0.89 RXRA (0.57) RXRAHNF4AHDAC1SMPD1HDAC8
SCHEMBL6915899 0.89 RXRA (0.76) RXRAHNF4ARARARARBRARG
SCHEMBL6910046 0.84 RXRA (0.62) RXRAHNF4AHDAC1HDAC8HDAC6
SCHEMBL6915946 0.81 RXRA (0.58) RXRAHNF4AHDAC1SMPD1HDAC8
SCHEMBL6914692 0.81 RXRA (0.58) RXRAHNF4AHDAC1SMPD1HDAC8
SCHEMBL6917001 0.81 RXRA (0.67) RXRAHNF4ARARARARBRARG
SCHEMBL6910117 0.81 RXRA (0.55) RXRAHNF4ASMPD1RARARARB
SCHEMBL6917161 0.80 MAOB (0.55) RXRAHNF4ARARARARBRARG

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-1336600-A2 Dimer-selective RXR modulators and methods for their use LIGAND PHARMACEUTICALS INCORPORATED (US) 2003-08-20 EP disclosed
EP-0873295-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS, INC. (US) 1998-10-28 EP disclosed
WO-1997012853-A1 DIMER-SELECTIVE RXR MODULATORS AND METHODS FOR THEIR USE LIGAND PHARMACEUTICALS INCORPORATED (US) 1997-04-10 WO disclosed