SCHEMBL7220993

SCHEMBL7220993

Cc1nc(C=Cc2cc(C(C)(C)C)cc3c2CCC3(C)C)ccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.45
RXRG P48443 6/20 0.41
RXRB P28702 7/20 0.39
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
PIM1 P11309 3/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32

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
SCHEMBL7080912 0.82 RXRA (0.47) RXRARXRGRXRBRARARARB
SCHEMBL7220989 0.78 RXRA (0.54) RXRARXRGRXRBRARARARB
SCHEMBL7081366 0.75 RXRA (0.40) RXRARXRGRXRBRARARARB
SCHEMBL3633427 0.74 RXRA (0.65) RXRARXRGRXRBRARARARB
SCHEMBL7085818 0.72 RXRA (0.46) RXRARXRGRXRB
SCHEMBL31276766 0.70 RXRA (0.50) RXRARXRGRXRB
SCHEMBL13696047 0.70 RXRA (0.50) RXRARXRGRXRB
SCHEMBL112943 0.68 RXRA (0.63) RXRARXRGRXRBRARARARB
SCHEMBL7081356 0.68 RXRA (0.50) RXRARXRGRXRB
SCHEMBL29374183 0.68 RXRA (0.63) RXRARXRGRXRBRARARARB

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-6642273-B2 Dermatology, vision defects, cardiovascular disorders, antiinflammatory GALDERMA RESEARCH & DEVELOPMENT (FR) 2003-11-04 US claimed