SCHEMBL20169814

SCHEMBL20169814

CC1CC2C3C=C(F)C4=Cc5c(cnn5-c5ccccc5)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ NR3C1 P04150 19/20 0.39

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
SCHEMBL16614003 1.00 KDM4E (0.53) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL16614004 0.83 NR3C1 (0.42) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068222 0.83 NR3C1 (0.42) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20169789 0.80 KDM4E (0.38) KDM4EMEN1KMT2ANPSR1
SCHEMBL20068223 0.79 NR3C1 (0.41) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068224 0.79 NR3C1 (0.39) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068225 0.79 NR3C1 (0.39) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068185 0.79 NR3C1 (0.40) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068220 0.79 NR3C1 (0.40) KDM4EMEN1KMT2ANPSR1NR3C1
SCHEMBL20068221 0.79 NR3C1 (0.52) KDM4EMEN1KMT2ANPSR1NR3C1

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-9975918-B2 Highly potent glucocorticoids VAN ANDEL RESEARCH INSTITUTE (US) 2018-05-22 — — US disclosed
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