SCHEMBL20324682

SCHEMBL20324682

C=C(CCC)OC1=CC(=O)CC(C)(C)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.39
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 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
SCHEMBL20322095 0.77
SCHEMBL10795656 0.76 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL10795663 0.76 TSHR (0.54) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL6072475 0.75 KMT2A (0.50) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL6072401 0.75 KMT2A (0.50) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL6164008 0.74 HPGD (0.62) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL1128004 0.72 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL10792171 0.71 TSHR (0.49) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL9196237 0.70 HPGD (0.57) ALDH1A1MAPTKMT2AHPGDLMNA
SCHEMBL124904 0.69 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AHPGDLMNA

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
WO-2018115093-A1 ACIDIC COMPOSITION COMPRISING THIOLACTONES AND PROCESS FOR TREATING KERATIN MATERIALS USING SAME L'OREAL (FR) 2018-06-28 WO disclosed