SCHEMBL30536564

SCHEMBL30536564

CC1(C)CCC2=C(CCCC2(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ POLB P06746 1/20 0.37
▸ MCL1 Q07820 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
SCHEMBL14879721 0.78 ALDH1A1 (0.40) ALDH1A1TDP1POLBMCL1
SCHEMBL20608593 0.78 ALDH1A1 (0.40) ALDH1A1TDP1POLBMCL1
SCHEMBL15865874 0.75 POLB (0.41) ALDH1A1TDP1POLBMCL1
SCHEMBL10316754 0.75 POLB (0.41) ALDH1A1TDP1POLBMCL1
SCHEMBL31502594 0.74 CYP19A1 (0.35) ALDH1A1TDP1POLB
SCHEMBL31502612 0.70 ALDH1A1 (0.35) ALDH1A1TDP1POLB
SCHEMBL24531920 0.67 POLB (0.40) ALDH1A1TDP1POLBMCL1
SCHEMBL14870490 0.67 POLB (0.43) ALDH1A1TDP1POLBMCL1
SCHEMBL24531919 0.66 ALDH1A1 (0.37) ALDH1A1TDP1POLB
SCHEMBL24531918 0.65 ALDH1A1 (0.36) ALDH1A1TDP1POLBMCL1

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-116249687-A Bicyclic aromatic chemicals 巴斯夫欧洲公司 2023-06-09 — — CN disclosed
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