SCHEMBL9647016

SCHEMBL9647016

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 3/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL9647022 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1MEN1POLB
SCHEMBL9647010 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TDP1MEN1POLB
SCHEMBL9648296 0.95 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1MEN1POLB
SCHEMBL9648285 0.95 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1MEN1POLB
SCHEMBL9648304 0.95 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1MEN1POLB
SCHEMBL9647334 0.92 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1POLBKMT2A
SCHEMBL9647339 0.92 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1POLBKMT2A
SCHEMBL9647325 0.92 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1POLBKMT2A
SCHEMBL9647275 0.92 CYP1A2 (0.42) SMN1; SMN2ALDH1A1MEN1POLBKMT2A
SCHEMBL9647270 0.92 CYP1A2 (0.42) SMN1; SMN2ALDH1A1MEN1POLBKMT2A

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