SCHEMBL11851358

SCHEMBL11851358

CC1(C)CC(=O)C(SCc2ccc(Cl)cc2)=C(O)C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
WRN Q14191 3/20 0.43
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
DAO P14920 2/20 0.41
HTT P42858 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
GAA P10253 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL11848595 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53KDM4EHPGD
SCHEMBL11856158 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDL3MBTL1
SCHEMBL11855826 0.87 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TP53KDM4EHPGD
SCHEMBL11857414 0.85 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TP53KDM4EHPGD
SCHEMBL11854587 0.72 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TP53KDM4EWRN
SCHEMBL11849559 0.71 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TP53KDM4EWRN
SCHEMBL11848276 0.71 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDL3MBTL1
SCHEMBL31747670 0.71 S100A4 (0.49) ALDH1A1SMN1; SMN2KDM4EHPGDL3MBTL1
SCHEMBL11849469 0.69 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EHPGDL3MBTL1
SCHEMBL31146966 0.68 WRN (0.63) ALDH1A1SMN1; SMN2TP53KDM4EHPGD

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-3943176-A PLANT GROWTH REGULATOR THE DOW CHEMICAL COMPANY (US) 1976-03-09 US disclosed