SCHEMBL7755017

SCHEMBL7755017

CC1(C)CCC(C)(C)c2cc(C34CC/C(=C\c5ccc(C(=O)O)cc5)C3C4)ccc21.Cc1cc2c(cc1C13CC/C(=C\c4ccc(C(=O)O)cn4)C1C3)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.47
RARB P10826 11/20 0.47
RARG P13631 11/20 0.47
RARA P10276 10/20 0.47
RXRB P28702 5/20 0.45
RXRG P48443 4/20 0.45
PPARG P37231 1/20 0.45
CYP26A1 O43174 4/20 0.41
CYP26B1 Q9NR63 2/20 0.41
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL7755019 1.00 RXRA (0.47) RXRARARBRARGRARARXRB
SCHEMBL7756532 0.91 RXRA (0.51) RXRARARBRARGRARARXRB
SCHEMBL7756541 0.91 RXRA (0.51) RXRARARBRARGRARARXRB
SCHEMBL7755025 0.91 RXRA (0.39) RXRARARBRARGRARARXRB
SCHEMBL7755311 0.90 RXRA (0.57) RXRARARBRARGRARARXRB
SCHEMBL7755314 0.90 RXRA (0.57) RXRARARBRARGRARARXRB
SCHEMBL7789470 0.86 RXRA (0.54) RXRARARBRARGRARARXRB
SCHEMBL7755022 0.86 RARB (0.53) RXRARARBRARGRARARXRB
SCHEMBL7789472 0.86 RXRA (0.54) RXRARARBRARGRARARXRB
SCHEMBL7755028 0.86 RARB (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077919-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 EP disclosed
WO-1999058486-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 WO disclosed