SCHEMBL18871544

SCHEMBL18871544

CC1(C)CC(=O)C(=CNc2ccccc2C=O)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NTSR1 P30989 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34

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
SCHEMBL13640179 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL11109819 0.76 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL12829890 0.76 KDM4E (0.56) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL13640156 0.74 BUB1 (0.45) ALDH1A1SMN1; SMN2KMT2AMAPTHPGD
SCHEMBL18871411 0.72 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL22056805 0.71 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTTP53HTT
SCHEMBL13640438 0.71 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KMT2AMAPTHTT
SCHEMBL13640182 0.71 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL18595077 0.70 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2ATP53HPGD
SCHEMBL12646547 0.70 MAPT (0.51) ALDH1A1SMN1; SMN2MAPTHTTNPSR1

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-2477491-B1 PLANT ADDITIVES AND USES THEREOF TO MODULATE THE SYNTHESIS OF MEMBRANE GLYCEROLIPIDS IN PLANTS COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-05-17 — — EP disclosed
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