SCHEMBL29948788

SCHEMBL29948788

CC(C)(C)OC(=O)N1CC2(C1)OCc1cc(C=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
AVPR1A P37288 4/20 0.39
ESR2 Q92731 1/20 0.38
NR1H2 P55055 2/20 0.37
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
GPR183 P32249 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GPR4 P46093 1/20 0.33
SCD5 Q86SK9 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OXTR P30559 1/20 0.33
ACACB O00763 1/20 0.32

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
SCHEMBL15505675 1.00 HDAC1 (0.43) HDAC1AVPR1AESR2NR1H2DDB1
SCHEMBL29949095 0.88 HDAC1 (0.41) HDAC1AVPR1AESR2NR1H2DDB1
SCHEMBL15505733 0.88 HDAC1 (0.41) HDAC1AVPR1AESR2NR1H2DDB1
SCHEMBL15515468 0.88 HDAC1 (0.41) HDAC1AVPR1AESR2NR1H2DDB1
SCHEMBL15515467 0.88 HDAC1 (0.41) HDAC1AVPR1AESR2NR1H2DDB1
SCHEMBL16864998 0.85 AVPR1A (0.40) HDAC1AVPR1AESR2NR1H2DDB1
SCHEMBL12097185 0.84 GPR119 (0.42) HDAC1AVPR1AESR2NR1H2DDB1
SCHEMBL21788515 0.84 AVPR1A (0.45) HDAC1AVPR1AESR2NR1H2OXTR
SCHEMBL29716173 0.84 RORC (0.40) HDAC1AVPR1AESR2NR1H2DDB1
SCHEMBL12097232 0.84 RORC (0.40) HDAC1AVPR1AESR2NR1H2DDB1

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
CN-120004816-A Isoxazoline derivatives 礼蓝动物保健有限公司 2025-05-16 CN disclosed
CN-115210221-B Isoxazoline derivatives as pesticides 礼蓝动物保健有限公司 2025-03-18 CN disclosed
EP-4077286-A1 ISOXAZOLINE DERIVATIVES AS PESTICIDES Elanco Tiergesundheit AG (CH) 2022-10-26 EP disclosed
CN-115210221-A Isoxazoline derivatives as pesticides 礼蓝动物保健有限公司 2022-10-18 CN disclosed