SCHEMBL6239474

SCHEMBL6239474

CC1(C)CCC(C)(C)c2cc(-c3cccc([N+](=O)[O-])c3)c(-c3ccc(C(=O)c4ccccc4C(=O)O)cc3)cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.50
RARG P13631 5/20 0.50
RARB P10826 4/20 0.50
HNF4A P41235 2/20 0.48
CDC25B P30305 2/20 0.46
ATM Q13315 1/20 0.46
RARA P10276 3/20 0.46
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 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
SCHEMBL6236924 0.88 CDC25B (0.59) RXRARARGRARBHNF4ACDC25B
SCHEMBL6239480 0.83 RARG (0.49) RXRARARGRARBRARARXRB
SCHEMBL6242642 0.82 HNF4A (0.68) RXRARARGRARBHNF4ACDC25B
SCHEMBL6241850 0.82 RXRA (0.55) RXRARARGRARBHNF4ACDC25B
SCHEMBL6244136 0.80 RXRA (0.62) RXRARARGRARBCDC25BATM
SCHEMBL6243030 0.79 RXRA (0.55) RXRARARGRARBHNF4ACDC25B
SCHEMBL6242986 0.78 RXRA (0.50) RXRARARGRARBHNF4ACDC25B
SCHEMBL6242094 0.78 HNF4A (0.57) RXRARARGRARBHNF4ACDC25B
SCHEMBL6242478 0.78 HNF4A (0.54) RXRARARGRARBHNF4ACDC25B
SCHEMBL6239175 0.75 RXRA (0.67) RXRARARGRARBHNF4ACDC25B

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
WO-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO claimed
WO-2005017185-A2 HEPATOCYTE NUCLEAR FACTOR 4α MODULATOR COMPOUNDS LIGAND PHARMCEUTICALS INCORPORATED (US) 2005-02-24 WO disclosed