SCHEMBL9426161

SCHEMBL9426161

C#COC(=O)c1ccc(-c2cccc(C(C)(C)C)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRB P28702 6/20 0.62
RXRA P19793 5/20 0.62
KIF11 P52732 1/20 0.45
RXRG P48443 1/20 0.44
DHODH Q02127 1/20 0.41
ACHE P22303 3/20 0.40
EGFR P00533 2/20 0.39
BCL2 P10415 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
CNR1 P21554 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37

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
SCHEMBL21448425 0.82 RXRA (0.69) RXRBRXRAKIF11RXRGEGFR
SCHEMBL9425231 0.81 RXRB (0.46) RXRBRXRAKIF11DHODHACHE
SCHEMBL13422461 0.77 RXRB (1.00) RXRBRXRAKIF11RXRGDHODH
SCHEMBL13524610 0.77 RXRB (0.76) RXRBRXRAKIF11RXRGDHODH
SCHEMBL3587908 0.76 RXRA (0.73) RXRBRXRAKIF11RXRGDHODH
SCHEMBL2746989 0.76 KMO (0.49) RXRBRXRARXRGDHODHEGFR
SCHEMBL1713017 0.73 ELANE (0.40)
SCHEMBL27659191 0.73 KIF11 (0.76) RXRBRXRAKIF11RXRGDHODH
SCHEMBL17105790 0.71 KIF11 (0.68) RXRBRXRAKIF11DHODHHDAC8
SCHEMBL30023786 0.71 KIF11 (0.72) RXRBRXRAKIF11ACHEHDAC8

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
US-5349105-A Skin disorder ALLERGAN, INC. (US) 1994-09-20 US disclosed
US-5202471-A Skin disorders ALLERGAN, INC. (US) 1993-04-13 US disclosed