SCHEMBL28226459

SCHEMBL28226459

CC1CC(C[C]=O)CC(C)(C)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.31
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL1719642 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL4771606 0.74 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL4776432 0.74 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL4771599 0.74 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL4776437 0.74 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL4771611 0.74 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL20312878 0.74 ALDH1A1 (0.33) ALDH1A1HTT
SCHEMBL10425199 0.73 ALDH1A1 (0.37) ALDH1A1HTTLMNA
SCHEMBL4660385 0.72 EPHX2 (0.43) ALDH1A1HTTNR1I2ABCB11LMNA
SCHEMBL6446886 0.72 EPHX2 (0.43) ALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108138081-A Spice composition 奇华顿股份有限公司 2018-06-08 CN claimed
CN-108138081-A Spice composition 奇华顿股份有限公司 2018-06-08 CN disclosed