SCHEMBL9647334

SCHEMBL9647334

C=CCOCC1CCC(CC[C@H]2CC[C@H](COCCC)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL9647325 1.00 ALDH1A1 (0.39) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL9647339 1.00 ALDH1A1 (0.39) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL9647016 0.92 SMN1; SMN2 (0.41) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL9647022 0.92 SMN1; SMN2 (0.41) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL9647010 0.92 SMN1; SMN2 (0.41) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL9648285 0.90 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL9648296 0.90 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL9648304 0.90 ALDH1A1 (0.41) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL9646641 0.90 ALDH1A1 (0.39) ALDH1A1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL9406397 0.90 ALDH1A1 (0.39) ALDH1A1MEN1POLBKMT2ASMN1; SMN2

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