SCHEMBL9005597

SCHEMBL9005597

CC1CCC(Oc2cccc(C(=O)O)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.58
GRIK1 P39086 1/20 0.53
GRIA2 P42262 1/20 0.53
AKR1C3 P42330 1/20 0.50
OPRK1 P41145 3/20 0.48
KMT2A Q03164 2/20 0.48
KAT6A Q92794 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
MEN1 O00255 1/20 0.44
NR4A2 P43354 1/20 0.44
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44

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
SCHEMBL29505911 0.92 EPHX2 (0.65) EPHX2GRIK1GRIA2AKR1C3OPRK1
SCHEMBL930213 0.86 EPHX2 (0.59) EPHX2GRIK1GRIA2AKR1C3OPRK1
SCHEMBL30162751 0.86 EPHX2 (0.59) EPHX2GRIK1GRIA2AKR1C3OPRK1
SCHEMBL931435 0.86 EPHX2 (0.59) EPHX2GRIK1GRIA2AKR1C3OPRK1
SCHEMBL931638 0.84 EPHX2 (0.57) EPHX2GRIK1GRIA2AKR1C3OPRK1
SCHEMBL9005535 0.84 EPHX2 (0.57) EPHX2GRIK1GRIA2AKR1C3OPRK1
SCHEMBL30575465 0.84 EPHX2 (0.57) EPHX2GRIK1GRIA2AKR1C3OPRK1
SCHEMBL930820 0.84 EPHX2 (0.57) EPHX2GRIK1GRIA2AKR1C3OPRK1
SCHEMBL9005707 0.84 EPHX2 (0.55) EPHX2GRIK1GRIA2AKR1C3OPRK1
SCHEMBL9005514 0.84 EPHX2 (0.55) EPHX2GRIK1GRIA2AKR1C3OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579223-B1 Carboxylic acid derivatives having 5 alpha-reductase inhibitory activity MITSUBISHI CHEM CORP (JP) 1996-10-09 EP disclosed
US-5385917-A Treating androgen dependent diseases MITSUBISHI KASEI CORPORATION (JP) 1995-01-31 US disclosed
EP-0579223-A1 Carboxylic acid derivatives having 5 alpha-reductase inhibitory activity Mitsubishi Chemical Corporation (JP) 1994-01-19 EP disclosed