SCHEMBL7426451

SCHEMBL7426451

CC(C)(C)OC(=O)c1c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[nH]c2cccc(C(=O)O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.36
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
DHODH Q02127 8/20 0.33
AR P10275 2/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL7533947 0.89 ALDH1A1 (0.38)
SCHEMBL7568707 0.75 KDM4E (0.46) PARP1DHODHKDM4EHPGD
SCHEMBL7421425 0.74 KMT2A (0.40) PARP1AR
SCHEMBL4561904 0.73 MAP3K5 (0.36) KDM4E
SCHEMBL7428955 0.72 ALDH1A1 (0.44)
SCHEMBL1564661 0.71 HTT (0.44)
SCHEMBL7480003 0.71 RIPK1 (0.47) PARP1KDM4E
SCHEMBL7954180 0.71 L3MBTL1 (0.42)
SCHEMBL7423969 0.70 TUBB4A (0.46) KDM4EHPGD
SCHEMBL29441457 0.68 PLA2G2A (0.43) PARP1GABRA1GABRG2GABRB3GABRA5

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-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed