SCHEMBL7159304

SCHEMBL7159304

COC(=O)c1cc2cc(OCc3ccccc3)c(OC)cc2[nH]1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.82
SRD5A1 P18405 2/20 0.82
RXFP1 Q9HBX9 1/20 0.61
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
FLT3 P36888 1/20 0.53
CTSV O60911 2/20 0.52
CTSL P07711 2/20 0.52
HPGD P15428 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HSD17B10 Q99714 1/20 0.50
XDH P47989 1/20 0.50
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
SMPD1 P17405 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL5829229 1.00 SRD5A2 (0.82) SRD5A2SRD5A1RXFP1MEN1KMT2A
SCHEMBL7169748 0.90 SRD5A2 (1.00) SRD5A2SRD5A1RXFP1MEN1KMT2A
SCHEMBL3243291 0.90 SRD5A2 (1.00) SRD5A2SRD5A1RXFP1MEN1KMT2A
SCHEMBL7201495 0.90 SRD5A2 (0.77) SRD5A2SRD5A1RXFP1MEN1KMT2A
SCHEMBL7738120 0.88 SRD5A2 (0.82) SRD5A2SRD5A1RXFP1MEN1KMT2A
SCHEMBL187450 0.88 SRD5A2 (0.64) SRD5A2SRD5A1RXFP1MEN1KMT2A
SCHEMBL5017116 0.87 SRD5A2 (0.63) SRD5A2SRD5A1RXFP1MEN1KMT2A
SCHEMBL7197060 0.86 SRD5A1 (0.61) SRD5A2SRD5A1RXFP1MEN1KMT2A
SCHEMBL10320628 0.85 SRD5A1 (0.67) SRD5A2SRD5A1RXFP1MEN1KMT2A
SCHEMBL9735427 0.84 SRD5A2 (0.69) SRD5A2SRD5A1RXFP1MEN1KMT2A

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
EP-1328514-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 2003-07-23 EP disclosed
WO-2002034718-A1 AMIDE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 2002-05-02 WO disclosed