SCHEMBL8660641

SCHEMBL8660641

C#Cc1c(C(=O)O)cccc1-c1ccc2c(c1)NC(=S)CC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.36
RARG P13631 7/20 0.36
RXRA P19793 2/20 0.36
RARA P10276 7/20 0.34
PTPN22 Q9Y2R2 2/20 0.32
CHEK1 O14757 1/20 0.31
F11 P03951 2/20 0.31
F7 P08709 2/20 0.31
F10 P00742 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.30
MAPK14 Q16539 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL8648772 0.92 RARB (0.36) RARBRARGRXRARARAPTPN22
SCHEMBL8772694 0.74 RARG (0.42) RARBRARGRXRARARA
SCHEMBL8772664 0.74 RARB (0.40) RARBRARGRXRARARA
SCHEMBL8633713 0.73 RARB (0.33) RARBRARGRXRARARA
SCHEMBL8562392 0.72 RARB (0.42) RARBRARGRXRARARALTB4R2
SCHEMBL8772662 0.72 RARB (0.42) RARBRARGRXRARARA
SCHEMBL8772633 0.71 RARB (0.47) RARBRARGRXRARARA
SCHEMBL8772676 0.71 RARG (0.39) RARBRARGRXRARARALTB4R2
SCHEMBL8772826 0.71 RARB (0.39) RARBRARGRXRARARALTB4R2
SCHEMBL8651566 0.71 RARB (0.33) RARBRARGRXRARARALTB4R2

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-0825986-A1 QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY Allergan (US) 1998-03-04 EP disclosed
WO-1996036609-A1 QUINOLYL-ETHYNYL DERIVATIVES HAVING RETINOID-LIKE ACTIVITY ALLERGAN (US) 1996-11-21 WO disclosed