SCHEMBL18912876

SCHEMBL18912876

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

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.37
▸ POLB P06746 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SLC6A12 P48065 3/20 0.31
▸ SLC6A11 P48066 3/20 0.31
▸ SLC6A13 Q9NSD5 3/20 0.31
▸ GABRR1 P24046 4/20 0.31
▸ GABRR2 P28476 1/20 0.31

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
SCHEMBL18906496 0.84 — —
SCHEMBL18912877 0.82 HTT (0.33) HSD11B1POLBTDP1LMNAHTT
SCHEMBL7857014 0.81 HSD11B1 (0.34) HSD11B1POLBTDP1LMNAHTT
SCHEMBL353233 0.79 HSD11B1 (0.43) HSD11B1POLBTDP1LMNASLC6A12
SCHEMBL18906498 0.78 HTT (0.32) LMNAHTT
SCHEMBL16249890 0.77 HSD11B1 (0.42) HSD11B1POLBTDP1LMNASLC6A12
SCHEMBL16249613 0.74 HSD11B1 (0.39) HSD11B1POLBTDP1LMNASLC6A12
SCHEMBL13346677 0.70 POLB (0.41) HSD11B1POLBTDP1LMNA
SCHEMBL16522346 0.69 HSD11B1 (0.35) HSD11B1POLBTDP1
SCHEMBL16351613 0.67 HSD11B1 (0.33) 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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