SCHEMBL11102433

SCHEMBL11102433

CCOC(=O)C12CC3(C)CC(C)(C1)CC(C(=O)OCC)(C3)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
PKM P14618 1/20 0.45
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
OPRM1 P35372 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
ALOX15 P16050 2/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL25831437 0.96 SMN1; SMN2 (0.55) SMN1; SMN2PKMHSD17B10TSHRPOLB
SCHEMBL7634113 0.89 SMN1; SMN2 (0.46) SMN1; SMN2PKMHSD17B10TSHRPOLB
SCHEMBL5608323 0.85 SMN1; SMN2 (0.46) SMN1; SMN2PKMHSD17B10TSHRPOLB
SCHEMBL17048689 0.82 SMN1; SMN2 (0.42) SMN1; SMN2PKMHSD17B10POLBALDH1A1
SCHEMBL19357093 0.81 POLB (0.42) SMN1; SMN2HSD17B10POLBALDH1A1MEN1
SCHEMBL20851018 0.81 POLB (0.42) SMN1; SMN2HSD17B10POLBALDH1A1MEN1
SCHEMBL22640209 0.80 POLB (0.44) SMN1; SMN2HSD17B10POLBALDH1A1MEN1
SCHEMBL7797401 0.80 MEN1 (0.49) SMN1; SMN2POLBMEN1MAPTKMT2A
SCHEMBL20851086 0.79 PKM (0.45) SMN1; SMN2PKMHSD17B10POLBALDH1A1
SCHEMBL20851087 0.79 PKM (0.45) SMN1; SMN2PKMHSD17B10POLBALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0053621-B1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM BATTELLE MEMORIAL INSTITUTE (CH) 1984-07-25 EP disclosed
EP-0053621-A1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM. BATTELLE MEMORIAL INSTITUTE (CH) 1982-06-16 EP disclosed
US-4332964-A Unsaturated esters of adamantane containing diols and thermo-resistant cross-linked polymers therefrom BATTELLE DEVELOPMENT CORPORATION (US) 1982-06-01 US disclosed
WO-1981003657-A1 UNSATURATED ESTERS OF ADAMANTANE CONTAINING DIOLS AND THERMO-RESISTANT CROSS-LINKED POLYMERS THEREFROM BATTELLE MEMORIAL INSTITUTE (CH) 1981-12-24 WO disclosed