SCHEMBL7336946

SCHEMBL7336946

CNc1ccc(C)cc1OCc1ccc(C(=O)OC)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
RAB9A P51151 5/20 0.55
LMNA P02545 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
TDP1 Q9NUW8 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 4/20 0.48
MEN1 O00255 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
BRD4 O60885 2/20 0.46

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
SCHEMBL14220798 0.84 MAPT (0.72) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL7345433 0.83 MAPT (0.56) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL15871980 0.79 APP (0.53) MAPTLMNAL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL23434862 0.78 MAPT (0.54) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL13413481 0.76 MAPT (0.58) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL13413479 0.76 MAPT (0.58) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL15703639 0.76 MAPT (0.62) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL23434965 0.76 MAPT (0.52) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL6864193 0.76 LMNA (0.49) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2
SCHEMBL7337537 0.76 AR (0.61) MAPTRAB9ALMNAL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed