SCHEMBL29625937

SCHEMBL29625937

C1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
CA12 O43570 2/20 0.33
GMNN O75496 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
LMNA P02545 2/20 0.33
BLM P54132 2/20 0.33
CA9 Q16790 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
SGMS1 Q86VZ5 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL173214 1.00 HSD11B1 (0.34) HSD11B1MAPTALDH1A1CA12GMNN
SCHEMBL20511602 1.00 HSD11B1 (0.34) HSD11B1MAPTALDH1A1CA12GMNN
SCHEMBL14628704 1.00 HSD11B1 (0.34) HSD11B1MAPTALDH1A1CA12GMNN
SCHEMBL16190945 1.00 HSD11B1 (0.34) HSD11B1MAPTALDH1A1CA12GMNN
SCHEMBL29429092 1.00 HSD11B1 (0.34) HSD11B1MAPTALDH1A1CA12GMNN
SCHEMBL31404063 1.00 HSD11B1 (0.34) HSD11B1MAPTALDH1A1CA12GMNN
SCHEMBL16181656 1.00 HSD11B1 (0.34) HSD11B1MAPTALDH1A1CA12GMNN
Iodide SCHEMBL30691866 0.96 HSD11B1 (0.33) HSD11B1MAPTALDH1A1CA12GMNN
Ammonia Solution, Strong SCHEMBL30691849 0.96 HSD11B1 (0.33) HSD11B1MAPTALDH1A1CA12GMNN
Water SCHEMBL30691844 0.96 HSD11B1 (0.33) HSD11B1MAPTALDH1A1CA12GMNN

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-11326126-B2 High performing, high impact bloom accord INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2022-05-10 US claimed