SCHEMBL29637372

SCHEMBL29637372

CC(C)(C)OC(=O)c1ccccc1CC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 4/20 0.37
EGFR P00533 1/20 0.36
KCNA5 P22460 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
HIF1A Q16665 1/20 0.34
CRHBP P24387 1/20 0.34

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
SCHEMBL14156434 0.86 CYP3A4 (0.44) ADRA1AADRA1BALDH1A1LMNATSHR
SCHEMBL28796611 0.85 SLC7A5 (0.36) ADRA1AADRA1BALDH1A1LMNAEGFR
SCHEMBL951581 0.83 TSHR (0.46) ADRA1AADRA1BALDH1A1LMNATSHR
SCHEMBL18089662 0.82 ELANE (0.36) ADRA1AADRA1BEGFR
SCHEMBL3499475 0.81 LMNA (0.44) ADRA1AADRA1BALDH1A1LMNATSHR
SCHEMBL7675373 0.81 ALDH1A1 (0.42) ADRA1AADRA1BALDH1A1LMNATSHR
SCHEMBL2773146 0.81 ALDH1A1 (0.58) ALDH1A1LMNATSHRKMT2AHTT
SCHEMBL16940008 0.80 ALDH1A1 (0.41) ADRA1AADRA1BALDH1A1LMNATSHR
SCHEMBL319240 0.80 ALDH1A1 (0.45) ADRA1AADRA1BALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL29024518 0.80 TSHR (0.43) ADRA1AADRA1BALDH1A1LMNATSHR

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
CN-114423740-A Pyrazole derivatives for controlling arthropods 拜耳动物保健有限责任公司 2022-04-29 CN disclosed