SCHEMBL7857014

SCHEMBL7857014

O=C(O)CC1C2CC(C1C(=O)O)C1C(=O)OC(=O)C21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.34
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ITGB3 P05106 1/20 0.30
▸ ITGB2 P05107 1/20 0.30
▸ ITGB1 P05556 1/20 0.30
▸ ITGAV P06756 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ ITGA5 P08648 1/20 0.30
▸ ITGB5 P18084 1/20 0.30
▸ ITGAL P20701 1/20 0.30

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
SCHEMBL6321820 0.82 TDP1 (0.40) LMNAHTTPOLBTDP1
SCHEMBL18912876 0.81 HSD11B1 (0.37) HSD11B1LMNAHTTPOLBTDP1
SCHEMBL18807019 0.76 HSD11B1 (0.31) HSD11B1
SCHEMBL13957510 0.75 POLB (0.32) POLBTDP1
SCHEMBL18912877 0.75 HTT (0.33) HSD11B1LMNAHTTPOLBTDP1
SCHEMBL353233 0.75 HSD11B1 (0.43) HSD11B1LMNAPOLBTDP1
SCHEMBL18906498 0.74 HTT (0.32) LMNAHTT
SCHEMBL16249890 0.73 HSD11B1 (0.42) HSD11B1LMNAPOLBTDP1
SCHEMBL1672459 0.71 KDM4E (0.41) LMNAHTTPOLBTDP1
SCHEMBL18906496 0.71 — —

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
JP-59170086-A — — None — — JP disclosed
JP-2001354630-A NORBORNANE t-BUTYL ESTER COMPOUND AND METHOD FOR PRODUCING THE SAME NISSAN CHEM IND LTD 2001-12-25 — — JP disclosed
JP-S59170086-A BICYCLO(3,3,0)OCTANE-2,3-DICARBOXYLIC ANHYDRIDE-6,8- DICARBOXYLIC ACID NISSAN CHEM IND LTD 1984-09-26 — — JP disclosed
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