SCHEMBL29242015

SCHEMBL29242015

CCCOC(=O)C(C)(CC)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.50
CHRM1 P11229 7/20 0.50
CHRM3 P20309 7/20 0.50
CHRM4 P08173 4/20 0.50
LMNA P02545 3/20 0.50
CHRM5 P08912 1/20 0.50
ALDH1A1 P00352 1/20 0.47
SCN1A P35498 3/20 0.47
SCN2A Q99250 3/20 0.47
SCN3A Q9NY46 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MTOR P42345 1/20 0.47
RAB9A P51151 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL28558102 0.89 SCN1A (0.52) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL539076 0.86 PIN1 (0.51) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL28840742 0.84 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL16732185 0.83 LMNA (0.53) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL10623735 0.83 LMNA (0.53) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL5810680 0.81 LMNA (0.51) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL16732280 0.81 LMNA (0.51) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL15310068 0.81 CYP3A4 (0.58) CHRM2CHRM1CHRM3CHRM4LMNA
SCHEMBL4953286 0.81 KCNN4 (0.58) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL28668236 0.81 LMNA (0.55) CHRM2CHRM1CHRM3CHRM4LMNA

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-118267344-A Long-acting injectable formulations and uses thereof 德克拉兽医产品公司 2024-07-02 CN disclosed