SCHEMBL9548043

SCHEMBL9548043

CCc1cccc(C(=O)O)c1N=Cc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.47
RARG P13631 11/20 0.47
RARA P10276 10/20 0.47
RXRA P19793 13/20 0.46
RXRB P28702 6/20 0.46
RXRG P48443 5/20 0.46
CYP26A1 O43174 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL9548032 0.86 RARB (0.49) RARBRARGRARARXRARXRB
SCHEMBL11234003 0.77 GAA (0.41) NPC1CYP1A2POLBCYP3A4CYP2C19
SCHEMBL9188913 0.77 RARB (0.34) RARBRARGRARARXRARXRB
SCHEMBL9188931 0.77 RARB (0.34) RARBRARGRARARXRARXRB
SCHEMBL10458354 0.73 RXRA (0.59) RARBRARGRARARXRARXRB
SCHEMBL9054682 0.72 RARB (0.69) RARBRARGRARARXRARXRB
SCHEMBL9190924 0.72 POLB (0.46) RARBRARGRARARXRARXRB
SCHEMBL9187221 0.72 RARG (0.41) RARBRARGRARARXRARXRB
SCHEMBL9548060 0.71 RARG (0.49) RARBRARGRARARXRARXRB
SCHEMBL9548038 0.71 RARG (0.49) RARBRARGRARARXRARXRB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5264615-A Perfumes or odors GIVAUDAN CORPORATION (US) 1993-11-23 US disclosed