SCHEMBL13899619

SCHEMBL13899619

CCC(C)(C)C(=O)OC1C2CC3C1OC(=O)C3(C#N)C2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 5/20 0.33
▸ CYP3A4 P08684 3/20 0.30
▸ USP2 O75604 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ TSHR P16473 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ NR1I2 O75469 1/20 0.30
▸ ABCB11 O95342 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ CYP2C8 P10632 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ ADRB3 P13945 1/20 0.30
▸ GABRA1 P14867 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ DRD1 P21728 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
SCHEMBL10204906 0.91 HMGCR (0.34) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL12935514 0.88 HMGCR (0.31) HMGCR
SCHEMBL25894223 0.86 HMGCR (0.30) HMGCR
SCHEMBL16328010 0.84 — —
SCHEMBL14363816 0.83 HMGCR (0.36) HMGCRCYP3A4USP2ALDH1A1TSHR
SCHEMBL9973355 0.81 — —
SCHEMBL13141888 0.81 HMGCR (0.33) HMGCR
SCHEMBL12935548 0.79 HMGCR (0.32) HMGCR
SCHEMBL19058052 0.75 HMGCR (0.32) HMGCR
SCHEMBL107167 0.75 HMGCR (0.32) HMGCR

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
US-7504194-B2 Resin showing an increase in solubility in alkali developer by action of an acid, a compound being capable of generating an acid when irradiated with an actinic ray or radiation, an acrylic resin with silicon-containing units and being stable to acids but insoluble in alkali developer, solvent FUJIFILM CORPORATION (JP) 2009-03-17 — — US disclosed
US-7504194-B2 Resin showing an increase in solubility in alkali developer by action of an acid, a compound being capable of generating an acid when irradiated with an actinic ray or radiation, an acrylic resin with silicon-containing units and being stable to acids but insoluble in alkali developer, solvent FUJIFILM CORPORATION (JP) 2009-03-17 — — US disclosed
US-20070134590-A1 Resin showing an increase in solubility in alkali developer by action of an acid, a compound being capable of generating an acid when irradiated with an actinic ray or radiation, an acrylic resin with silicon-containing units and being stable to acids but insoluble in alkali developer, solvent FUJIFILM CORPORATION. (JP) 2007-06-14 — — US disclosed
US-20070134590-A1 Resin showing an increase in solubility in alkali developer by action of an acid, a compound being capable of generating an acid when irradiated with an actinic ray or radiation, an acrylic resin with silicon-containing units and being stable to acids but insoluble in alkali developer, solvent FUJIFILM CORPORATION. (JP) 2007-06-14 — — US disclosed
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