SCHEMBL28779449

SCHEMBL28779449

O=C(CCC1CC1)OC1CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
CYP19A1 P11511 3/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CYP2C19 P33261 1/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KLK7 P49862 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 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
SCHEMBL9011955 0.87 NAAA (0.55) NAAASMN1; SMN2CYP19A1MAPTCYP2C19
SCHEMBL25252093 0.85 NAAA (0.56) NAAASMN1; SMN2CYP19A1MAPTCYP2C19
SCHEMBL9012245 0.85 NAAA (0.56) NAAASMN1; SMN2CYP19A1MAPTCYP2C19
SCHEMBL11854577 0.84 NAAA (0.56) NAAASMN1; SMN2CYP19A1TPSAB1TPSD1
SCHEMBL19690548 0.83 NAAA (0.52) NAAASMN1; SMN2CYP19A1GAAMAPT
SCHEMBL31069907 0.78 NAAA (0.64) NAAASMN1; SMN2CYP19A1GAAMAPT
SCHEMBL15155531 0.78 NAAA (0.59) NAAASMN1; SMN2CYP19A1GAAMAPT
SCHEMBL11022563 0.78 NAAA (0.46) NAAASMN1; SMN2CYP19A1GAAMAPT
SCHEMBL10341162 0.78 NAAA (0.46) NAAASMN1; SMN2CYP19A1GAAMAPT
SCHEMBL10726613 0.78 NAAA (0.46) NAAASMN1; SMN2CYP19A1GAAMAPT

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-114591232-A Long-acting control agent for ectoparasites of animals 三井化学AGRO株式会社 2022-06-07 CN disclosed