SCHEMBL8022157

SCHEMBL8022157

COc1ccc(C2CCCCCC(=O)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP19A1 P11511 1/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 2/20 0.40
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL10570984 0.94 MAOB (0.47) MAOBMAPTNPC1RAB9ACYP3A4
SCHEMBL9733035 0.94 MAOB (0.47) MAOBMAPTNPC1RAB9ACYP3A4
SCHEMBL8015845 0.87 MAOB (0.49) MAOBMAPTNPC1RAB9ACYP3A4
SCHEMBL15883776 0.77 KDM4E (0.42) MAOBMAPTCYP19A1TSHRALDH1A1
SCHEMBL1331244 0.77 KDM4E (0.42) MAOBMAPTCYP19A1TSHRALDH1A1
SCHEMBL10698757 0.77 LMNA (0.53) MAOBNPC1RAB9ACYP3A4CYP19A1
SCHEMBL2743600 0.76 MAOB (0.43) MAOBCYP19A1LMNAALDH1A1
SCHEMBL2743729 0.75 L3MBTL1 (0.40) EPHX2
SCHEMBL28566369 0.75 LMNA (0.45) MAOBMAPTNPC1RAB9ACYP3A4
SCHEMBL19562316 0.74 GRM2 (0.45) MAPTNPC1RAB9AMAPK1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000024251-A1 COMPOSITION AND METHOD FOR COMBATTING PLANT FUNGI, AND PLANT FUNGUS INHIBITING COMPOUNDS GREEN CARE LABORATORIES LTD. (IL) 2000-05-04 WO disclosed