SCHEMBL9175960

SCHEMBL9175960

O=C[C@@H]1CC[C@H]2CCCC[C@@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL5827953 1.00 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10021815 0.95 ALDH1A1 (0.33) ALDH1A1
SCHEMBL16574870 0.91 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6462413 0.89
SCHEMBL6462417 0.89
SCHEMBL11903853 0.88 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4572135 0.87
SCHEMBL16769017 0.87 ALDH1A1 (0.47) ALDH1A1
SCHEMBL27325443 0.87 ALDH1A1 (0.39) ALDH1A1
SCHEMBL17070220 0.84 ALDH1A1 (0.44) ALDH1A1

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
US-5428058-A Antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-27 US disclosed