SCHEMBL11613875

SCHEMBL11613875

COc1ccc2c(c1)c(C(OC(C)=O)C(=O)OCc1ccccc1)c(C)n2C(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ TUBB1 Q9H4B7 1/20 0.46
▸ PTGS2 P35354 5/20 0.44
▸ PLA2G2A P14555 2/20 0.44
▸ PPARG P37231 4/20 0.44
▸ AKR1C3 P42330 2/20 0.42
▸ AKR1C2 P52895 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL11612923 0.91 LMNA (0.55) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL11615782 0.87 PTGS2 (0.59) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL10909068 0.79 LMNA (0.59) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL11613881 0.77 LMNA (0.58) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL5809155 0.73 PTGS2 (0.61) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL11615249 0.73 AKR1C2 (0.48) AKR1C2MEN1KMT2A
Water SCHEMBL10910165 0.72 PTGS2 (0.60) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL11828310 0.72 PTGS2 (0.60) LMNACYP1A2CYP2D6CYP2C9HIF1A
SCHEMBL11613879 0.72 TUBB1 (0.75) LMNACYP1A2CYP2D6CYP2C9TSHR
SCHEMBL8578367 0.71 LMNA (0.61) LMNACYP1A2CYP2D6CYP2C9TSHR

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-4104278-A Process for the production of compounds with antiphlogistic activity TROPONWERKE DINKLAGE & CO. (DE) 1978-08-01 — — US disclosed
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