SCHEMBL28225571

SCHEMBL28225571

CCC(O)C(C)CCCC(C)[C@H]1CC[C@H]2C3=CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ DHCR24 Q15392 8/20 0.51
▸ TRPV1 Q8NER1 1/20 0.45
▸ THRB P10828 1/20 0.44
▸ CDC25A P30304 2/20 0.40
▸ CDC25B P30305 1/20 0.40

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
SCHEMBL6398718 0.92 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL29689186 0.87 MEN1 (0.74) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL29656314 0.87 MEN1 (0.74) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL1957036 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL27774330 0.85 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL30875104 0.85 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL28220112 0.83 MEN1 (0.54) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL28001753 0.83 DHCR24 (0.56) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL30266882 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2MAPT
SCHEMBL30778467 0.83 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AUSP2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105380051-B A kind of anti-alcohol and liver-protection beverage and preparation method thereof 九饮堂生物科技有限公司 2018-10-16 — — CN disclosed
CN-108261862-A Plant type haze removes composition 国润生物科技(深圳)有限公司 2018-07-10 — — CN disclosed
CN-106333907-A Bath crystal composition and preparation method thereof 内蒙古修远科技发展有限公司 2017-01-18 — — CN disclosed
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