Methane

Methane

SCHEMBL11048849

C.O=C(O)Cc1ccc(C2CCCCC2)c(Cl)c1

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.56
CA2 P00918 1/20 0.51
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PTGDR2 Q9Y5Y4 9/20 0.46
PTGDR Q13258 4/20 0.46
PTGER2 P43116 1/20 0.46
SLC22A12 Q96S37 1/20 0.42
EPHX2 P34913 1/20 0.42
THRA P10827 1/20 0.41
OPRK1 P41145 1/20 0.41
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
KDM4E B2RXH2 1/20 0.40
RGS12 O14924 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3454286 0.98 THRB (0.57) THRBCA2SLC6A2SLC6A4SLC6A3
SCHEMBL11790415 0.91 THRB (0.51) THRBCA2SLC6A2SLC6A4SLC6A3
SCHEMBL11674093 0.84 PTGDR2 (0.49) THRBPTGDR2PTGDRPTGER2SLC22A12
SCHEMBL11831779 0.82 THRB (0.46) THRBCA2SLC6A2SLC6A4SLC6A3
SCHEMBL11834367 0.82 THRB (0.45) THRBPTGDR2PTGDRPTGER2SIGMAR1
SCHEMBL11567034 0.82 PTGDR (0.52) THRBPTGDR2PTGDRPTGER2EPHX2
SCHEMBL11837224 0.80 THRB (0.43) THRBPTGDR2PTGDRPTGER2SIGMAR1
SCHEMBL11854162 0.80 LDHA (0.45) THRBPTGDR2PTGDROPRK1KDM4E
SCHEMBL3900326 0.80 NUDT1 (0.43) THRBSLC6A2SLC6A4SLC6A3PTGDR2
SCHEMBL7796460 0.79 THRB (0.62) THRBCA2PTGDR2PTGDRPTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0106649-A2 Prostaglandins and their use THE UPJOHN COMPANY (US) 1984-04-25 EP disclosed
US-4439445-A ULCER PROPHYLAXIS THE UPJOHN COMPANY (US) 1984-03-27 US disclosed
US-4424227-A Gastric cytoprotection with heterocyclic sulfonamides THE UPJOHN COMPANY (US) 1984-01-03 US disclosed
US-4397865-A INDUCED BY NON-STEROIDAL ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1983-08-09 US disclosed
US-4061742-A Method of reducing the undesirable gastrointestinal effects of prostaglandin synthetase inhibitors with PGA compounds THE UPJOHN COMPANY (US) 1977-12-06 US disclosed
US-4011332-A RODENTICIDE BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-03-08 US disclosed