SCHEMBL7183801

SCHEMBL7183801

O=[C]OC(=O)OC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
CYP19A1 P11511 4/20 0.38
NAAA Q02083 1/20 0.36
CYP17A1 P05093 3/20 0.35
EPHX2 P34913 2/20 0.35
EPHX1 P07099 2/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
GLA P06280 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
GAA P10253 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30

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
SCHEMBL865315 0.83 NPSR1 (0.48) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL1439502 0.75 NPSR1 (0.42) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL3125283 0.75 NPSR1 (0.47) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL18394764 0.75 NPSR1 (0.42) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL4339912 0.75 NPSR1 (0.42) NPSR1CYP19A1NAAACYP17A1EPHX2
Ammonia Solution, Strong SCHEMBL28325233 0.73 NPSR1 (0.45) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL27736443 0.73 CYP19A1 (0.44) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL11908378 0.73 CYP19A1 (0.46) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL4222114 0.72 CYP19A1 (0.43) NPSR1CYP19A1NAAACYP17A1EPHX2
SCHEMBL865316 0.72 CYP19A1 (0.43) NPSR1CYP19A1NAAACYP17A1EPHX2

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-6620789-B1 Compounds are provided that inhibit the interaction of an IGF with any one of its binding proteins and not to a human IGF receptor. These IGF agonist compounds, which include peptides, are useful to increase serum and tissue levels of active IGFs GENENTECH, INC. 2003-09-16 US disclosed