SCHEMBL7302299

SCHEMBL7302299

CCc1nc(-c2ccc(OCCCc3ccccc3)cc2)no1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.68
ACACA Q13085 2/20 0.68
L3MBTL1 Q9Y468 8/20 0.62
TDP1 Q9NUW8 5/20 0.62
NPC1 O15118 6/20 0.62
RAB9A P51151 5/20 0.62
MAPT P10636 2/20 0.62
ATM Q13315 1/20 0.60
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.58
ALDH1A1 P00352 2/20 0.56
FFAR1 O14842 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPK1 P28482 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53

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
SCHEMBL3505740 0.87 ACACB (0.61) ACACBACACAL3MBTL1TDP1NPC1
SCHEMBL3504473 0.86 ACACB (0.65) ACACBACACAL3MBTL1TDP1NPC1
SCHEMBL3505092 0.85 L3MBTL1 (0.55) ACACBACACAL3MBTL1TDP1NPC1
SCHEMBL7295131 0.83 ACACB (0.97) ACACBACACAL3MBTL1TDP1NPC1
SCHEMBL17233279 0.81 ACACB (0.73) ACACBACACAL3MBTL1TDP1NPC1
SCHEMBL18598419 0.80 ACACB (0.71) ACACBACACAL3MBTL1TDP1NPC1
SCHEMBL23588222 0.79 ACACB (0.70) ACACBACACAL3MBTL1TDP1NPC1
SCHEMBL7302028 0.79 ACACB (0.70) ACACBACACAL3MBTL1TDP1NPC1
SCHEMBL14339592 0.78 NOTUM (0.64) ACACBACACAL3MBTL1TDP1NPC1
SCHEMBL22280481 0.78 PPARD (0.47) ACACBACACAL3MBTL1TDP1NPC1

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-0504574-B1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same WAKAMOTO PHARMA CO LTD (JP) 1996-02-28 EP disclosed
US-5356916-A Treating Parkinson*s disease WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0504574-A1 1,2,4-Oxadiazole derivatives having monoamine oxidase B enzyme-inhibitory activity and method for preparing same Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-23 EP disclosed