SCHEMBL7027870

SCHEMBL7027870

C=CC(=O)Oc1cc(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)ccc1OCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.44
RXRA P19793 10/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
RARG P13631 4/20 0.42
RARB P10826 4/20 0.42
RARA P10276 2/20 0.42
THRB P10828 2/20 0.40
PPARG P37231 1/20 0.40
NR1H3 Q13133 1/20 0.40
THRA P10827 1/20 0.40
HNF4A P41235 1/20 0.39
CNR2 P34972 1/20 0.37

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
SCHEMBL7025024 0.93 RXRA (0.46) RXRARXRBRXRGRARGRARB
SCHEMBL6870756 0.82 PTPN11 (0.52) PTPN11RXRARXRBRXRGRARG
SCHEMBL6875753 0.81 RXRA (0.44) PTPN11RXRARXRBRXRGRARG
SCHEMBL6877473 0.80 RXRA (0.43) PTPN11RXRARXRBRXRGRARG
SCHEMBL6877472 0.80 PTPN11 (0.48) PTPN11RXRARXRBRXRGRARG
SCHEMBL6870757 0.80 RXRA (0.48) PTPN11RXRARXRBRXRGRARG
SCHEMBL6879665 0.75 RXRA (0.49) PTPN11RXRARXRBRXRGRARG
SCHEMBL6878500 0.73 RXRA (0.46) RXRARXRBRXRGRARGRARB
SCHEMBL6874354 0.73 RXRA (0.48) RXRARXRBRXRGRARGRARB
SCHEMBL6876044 0.73 RXRA (0.45) RXRARXRBRXRGRARGRARB

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-0832081-B1 BICYCLIC-AROMATIC COMPOUNDS GALDERMA RECH DERMATOLOGIQUE (FR) 2003-01-29 EP disclosed
EP-0832081-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-04-01 EP disclosed
WO-1997033881-A1 BICYCLIC-AROMATIC COMPOUNDS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1997-09-18 WO disclosed