SCHEMBL7065200

SCHEMBL7065200

COP(=O)(OC)C(C(=O)/C=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.46
GABBR1 Q9UBS5 2/20 0.46
HMGCR P04035 3/20 0.42
MAOA P21397 8/20 0.40
MAOB P27338 8/20 0.40
ACHE P22303 6/20 0.38
EGFR P00533 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
TNFRSF1A P19438 1/20 0.38
GPR55 Q9Y2T6 1/20 0.37
NR1I2 O75469 1/20 0.37
BCHE P06276 1/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36

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
SCHEMBL7066330 0.81 TNFRSF1A (0.42) GABBR2GABBR1HMGCRMAOAMAOB
SCHEMBL9218296 0.74 GABBR2 (0.50) GABBR2GABBR1HMGCREGFRCYP1A2
SCHEMBL5667712 0.74 MAPT (0.35) GABBR2GABBR1HMGCRCYP1A2
SCHEMBL10754138 0.71 GABBR2 (0.68) GABBR2GABBR1MAOAMAOBEGFR
SCHEMBL10897581 0.71 GABBR2 (0.68) GABBR2GABBR1MAOAMAOBEGFR
SCHEMBL6916852 0.70 GABBR2 (0.55) GABBR2GABBR1HMGCRMAOAMAOB
SCHEMBL5712559 0.69 GABBR2 (0.64) GABBR2GABBR1CYP1A2CYP2C9TNFRSF1A
SCHEMBL5712558 0.69 GABBR2 (0.64) GABBR2GABBR1CYP1A2CYP2C9TNFRSF1A
SCHEMBL6917719 0.69 GABBR2 (0.52) GABBR2GABBR1HMGCRCYP1A2CYP2C9
SCHEMBL6910765 0.69 GABBR2 (0.52) GABBR2GABBR1HMGCREGFRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004026245-A2 SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO claimed
WO-2004026245-A2 SUBSTITUTED PHOSPHONATE COMPOUNDS HAVING BONE ANABOLIC ACTIVITY ILEX ONCOLOGY RESEARCH, SARL (CH) 2004-04-01 WO disclosed