SCHEMBL9646607

SCHEMBL9646607

C=CCOCC1CCC(CCC2CCC(CCC)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9646594 1.00 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2A
SCHEMBL9646600 1.00 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2A
SCHEMBL9442467 0.93 ALDH1A1 (0.39) ALDH1A1MEN1POLBKMT2A
SCHEMBL9442457 0.93 ALDH1A1 (0.39) ALDH1A1MEN1POLBKMT2A
SCHEMBL9406418 0.93 ALDH1A1 (0.39) ALDH1A1MEN1POLBKMT2A
SCHEMBL9406415 0.93 ALDH1A1 (0.39) ALDH1A1MEN1POLBKMT2A
SCHEMBL9646837 0.90 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9646848 0.90 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9646830 0.90 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9647334 0.89 ALDH1A1 (0.39) ALDH1A1MEN1POLBKMT2A

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-5102578-A Electrooptics HOFFMANN-LA ROCHE INC. (US) 1992-04-07 US disclosed