SCHEMBL20122035

SCHEMBL20122035

COc1ccc(Nc2ccc(CCC(=O)O)cc2)cc1C1(C)CC2CC(C)CC(C2)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
IDH1 O75874 12/20 0.41
FFAR1 O14842 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 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
SCHEMBL20122021 0.87 EPHX2 (0.50) EPHX2IDH1GSK3AGSK3B
SCHEMBL17916358 0.87 EPHX2 (0.42) EPHX2IDH1FFAR1POLBSMN1; SMN2
SCHEMBL17911590 0.87 EPHX2 (0.52) EPHX2FFAR1POLBSMN1; SMN2MEN1
SCHEMBL20121991 0.81 HDAC11 (0.48) IDH1POLBSMN1; SMN2
SCHEMBL17911600 0.75 EPHX2 (0.57) EPHX2FFAR1SMN1; SMN2MEN1KMT2A
SCHEMBL17916347 0.74 EPHX2 (0.44) EPHX2IDH1GSK3AGSK3B
SCHEMBL16516228 0.73 RARB (0.61) EPHX2FFAR1POLBSMN1; SMN2MEN1
SCHEMBL20122036 0.72 EPHX2 (0.39) EPHX2FFAR1POLBSMN1; SMN2MEN1
SCHEMBL17911599 0.70 FFAR1 (0.48) EPHX2FFAR1KMT2A
SCHEMBL24259971 0.69 RARA (0.36) POLBSMN1; SMN2MEN1KMT2A

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-9963439-B2 Specific inhibitors of cytochrome P450 26 retinoic acid hydroxylase UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2018-05-08 US disclosed