SCHEMBL9647482

SCHEMBL9647482

C=CCOC[C@H]1CC[C@H]([C@H]2CC[C@H](COCCCCC)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.31
HTT P42858 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 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
SCHEMBL9406912 1.00 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL9406915 1.00 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL9406521 0.95 SMN1; SMN2 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL9647366 0.95 SMN1; SMN2 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL9406524 0.95 SMN1; SMN2 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL9648296 0.90 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL9648304 0.90 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL9648285 0.90 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2TSHRMEN1
SCHEMBL9406397 0.90 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL9646641 0.90 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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