SCHEMBL29624101

SCHEMBL29624101

CC1(C)CCC(C(C)(C)C2CCCCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL19439750 0.90 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL133604 0.82 EPHX1 (0.33) ALDH1A1
SCHEMBL29024831 0.82 EPHX1 (0.33) ALDH1A1
SCHEMBL9016315 0.82 EPHX1 (0.33) ALDH1A1
SCHEMBL727025 0.79 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL735570 0.79 ALDH1A1 (0.40) ALDH1A1TDP1
Ammonia Solution, Strong SCHEMBL4197768 0.79 EPHX1 (0.32) ALDH1A1
SCHEMBL19809440 0.79 EPHX1 (0.37) ALDH1A1
SCHEMBL19117786 0.77 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL24086394 0.76 ALDH1A1 (0.33) ALDH1A1TDP1

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-112334553-B Polyurethane composition with long processing time and high strength SIKA技术股份公司 2022-05-17 CN disclosed