SCHEMBL11093229

SCHEMBL11093229

COC12CC3CC(C1)CC(C(=O)Cl)(C3)C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
GLA P06280 1/20 0.40
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL7748923 0.85 ALDH1A1 (0.47) THRBGLAGAANPSR1SMN1; SMN2
SCHEMBL26017392 0.84 NPSR1 (0.43) THRBGLANPSR1SMN1; SMN2LMNA
SCHEMBL692431 0.80 SMN1; SMN2 (0.52) THRBGAANPSR1SMN1; SMN2LMNA
SCHEMBL5859987 0.78 NPSR1 (0.47) THRBGLAGAANPSR1SMN1; SMN2
SCHEMBL6901718 0.77 NPSR1 (0.39) NPSR1LMNADPP4HSD11B1ALDH1A1
SCHEMBL501722 0.77 THRB (0.36) THRBGLAGAANPSR1SMN1; SMN2
SCHEMBL25833503 0.75 GAA (0.50) THRBGAANPSR1LMNAMEN1
SCHEMBL8957767 0.75 TSHR (0.51) THRBGAASMN1; SMN2LMNAMEN1
SCHEMBL7719840 0.75 POLB (0.50) THRBGAASMN1; SMN2LMNAMEN1
SCHEMBL4997154 0.74 THRB (0.43) THRBGAANPSR1SMN1; SMN2LMNA

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
EP-0028936-B1 4-CARBAMOYLIMIDAZOL-5-OL DERIVATIVES, THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-04-11 EP disclosed
US-4332806-A Antitumor and immunosuppresive 4-carbamoyl imidazolium-5-olate derivatives, pharmaceutical composition and production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-06-01 US disclosed
EP-0028936-A2 4-Carbamoylimidazol-5-ol derivatives, their production and pharmaceutical compositions containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-05-20 EP disclosed