SCHEMBL18912877

SCHEMBL18912877

COC(=O)C1=C(C(=O)OC)C2C3CC(C(CC(=O)O)C3C(=O)O)C12

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ POLB P06746 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL18906498 0.92 HTT (0.32) HTTLMNAALDH1A1TP53SMN1; SMN2
SCHEMBL3020896 0.84 ALDH1A1 (0.39) HTTLMNAALDH1A1KDM4ETP53
SCHEMBL13216610 0.84 ALDH1A1 (0.39) HTTLMNAALDH1A1KDM4ETP53
SCHEMBL18912876 0.82 HSD11B1 (0.37) HTTLMNAHSD11B1POLBTDP1
SCHEMBL7857014 0.75 HSD11B1 (0.34) HTTLMNAHSD11B1POLBTDP1
SCHEMBL18906496 0.74 — —
SCHEMBL353233 0.73 HSD11B1 (0.43) LMNAALDH1A1HSD11B1SMN1; SMN2POLB
SCHEMBL16249890 0.71 HSD11B1 (0.42) LMNAALDH1A1HSD11B1SMN1; SMN2POLB
SCHEMBL16249613 0.68 HSD11B1 (0.39) LMNAALDH1A1HSD11B1KDM4EPOLB
SCHEMBL16522346 0.67 HSD11B1 (0.35) HSD11B1POLBTDP1

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-20170153549-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING ORGANIC GROUP HAVING ALIPHATIC POLYCYCLIC STRUCTURE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-01 — — US disclosed
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