SCHEMBL29277477

SCHEMBL29277477

O=C(OC(=O)C1CC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.56
F2 P00734 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 2/20 0.48
POLB P06746 2/20 0.47
CHRNA7 P36544 2/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
ATM Q13315 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL5401016 0.94 ELANE (0.55) ELANEF2LMNATSHRPOLB
SCHEMBL5788955 0.93 ELANE (0.58) ELANEF2LMNATSHRPOLB
SCHEMBL27615711 0.89 ELANE (0.47) ELANEF2LMNATSHRPOLB
SCHEMBL28823439 0.88 ELANE (0.47) ELANELMNATSHRPOLBKMT2A
SCHEMBL6654105 0.86 TSHR (0.48) ELANELMNATSHRPOLBTDP1
SCHEMBL28937493 0.85 SLC6A3 (0.50) ELANEF2LMNATSHRPOLB
SCHEMBL1923782 0.81 KCNH2 (0.43) ELANELMNAKMT2AMEN1TP53
Hydrogen Peroxide SCHEMBL27952375 0.79 LMNA (0.70) F2LMNATSHRPOLBKMT2A
SCHEMBL52413 0.79 LMNA (0.70) F2LMNATSHRPOLBKMT2A
Benzene SCHEMBL27793442 0.79 LMNA (0.70) F2LMNATSHRPOLBKMT2A

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-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed