SCHEMBL9851924

SCHEMBL9851924

CCCC/C=C\CCCCCCCCCCOCC1COC(C)(C)O1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.44
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.38
LPAR2 Q9HBW0 2/20 0.36
LPAR3 Q9UBY5 2/20 0.36
LPAR1 Q92633 1/20 0.36

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
SCHEMBL15418187 0.97 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2CA2
SCHEMBL17888162 0.97 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2CA2
SCHEMBL11086721 0.97 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2CA2
SCHEMBL2219001 0.97 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2CA2
SCHEMBL18660345 0.96 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2
SCHEMBL18660346 0.96 ALDH1A1 (0.46) ALDH1A1TDP1SMN1; SMN2
SCHEMBL25077639 0.89 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2CA2TSHR
SCHEMBL2219135 0.89 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2CA2TSHR
SCHEMBL8819217 0.89 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2CA2TSHR
SCHEMBL2216995 0.89 ALDH1A1 (0.62) ALDH1A1TDP1SMN1; SMN2CA2TSHR

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
EP-0442612-A2 Process of making (3H)-labeled PAF preparations MERCK & CO. INC. (US) 1991-08-21 EP disclosed