SCHEMBL28220112

SCHEMBL28220112

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ DHCR24 Q15392 8/20 0.50
▸ TRPV1 Q8NER1 1/20 0.41
▸ OSBP P22059 2/20 0.41
▸ NR1H3 Q13133 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ GPR183 P32249 2/20 0.37
▸ CDC25A P30304 1/20 0.36
▸ CDC25B P30305 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
SCHEMBL28001753 0.94 DHCR24 (0.56) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL27774330 0.91 ALDH1A1 (0.63) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL1957036 0.91 ALDH1A1 (0.63) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL28030582 0.85 ALDH1A1 (0.53) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL28030593 0.85 DHCR24 (0.60) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL28030585 0.85 ALDH1A1 (0.53) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL29598705 0.85 ALDH1A1 (0.53) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL599030 0.85 DHCR24 (0.60) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL1237839 0.85 DHCR24 (0.60) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL28225571 0.83 ALDH1A1 (0.60) MEN1KMT2AALDH1A1USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108187004-A A kind of more skins of Chinese medicine treatment nettle rash dissipate and preparation method 黄建民 2018-06-22 — — CN disclosed
CN-108186799-A Ground bone slender acanthopanax dissipates and preparation method 黄建民 2018-06-22 — — CN disclosed
CN-104771601-B A kind of combination agent for improving blood viscosity and hematoblastic aggregation 张坤镛 2018-06-19 — — CN disclosed
CN-108159378-A Mulberry leather belly skin dissipates and preparation method 黄建民 2018-06-15 — — CN disclosed
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