SCHEMBL6017458

SCHEMBL6017458

CC1(C)CC(C)(C)c2cc(C(=O)/C=C/c3ccc(C(=O)O)c(F)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.51
RARG P13631 11/20 0.51
RARA P10276 9/20 0.51
CYP26A1 O43174 2/20 0.47
RXRA P19793 6/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
PTGS2 P35354 1/20 0.44
SNCA P37840 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL6017460 1.00 RARB (0.51) RARBRARGRARACYP26A1RXRA
SCHEMBL4418790 0.84 RARB (0.63) RARBRARGRARACYP26A1RXRA
SCHEMBL4418785 0.84 RARB (0.63) RARBRARGRARACYP26A1RXRA
SCHEMBL8522220 0.81 RARB (0.58) RARBRARGRARACYP26A1RXRA
SCHEMBL8522221 0.81 RARB (0.58) RARBRARGRARACYP26A1RXRA
SCHEMBL6017459 0.79 CYP26A1 (0.51) RARBRARGRARACYP26A1SNCA
SCHEMBL4315172 0.77 RARB (0.75) RARBRARGRARACYP26A1RXRA
SCHEMBL4315169 0.77 RARB (0.75) RARBRARGRARACYP26A1RXRA
SCHEMBL9822716 0.74 CYP26A1 (0.48) RARBRARGRARACYP26A1PTGS2
SCHEMBL9822702 0.74 CYP26A1 (0.48) RARBRARGRARACYP26A1PTGS2

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-1704139-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RAR y RETINOID RECEPTORS Allergan, Inc. (US) 2006-09-27 EP disclosed
WO-2005066116-A1 DISUBSTITUTED CHALCONE OXIMES AS SELECTIVE AGONISTS OF RARϜ RETINOID RECEPTORS ALLERGAN, INC. (US) 2005-07-21 WO disclosed