SCHEMBL14054282

SCHEMBL14054282

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.33
EPHX2 P34913 1/20 0.33
DPP4 P27487 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP17A1 P05093 1/20 0.31
TSHR P16473 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
THRB P10828 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
SCHEMBL14054533 0.91 ALDH1A1 (0.33) ALDH1A1MGAMGAASIMGAM2
SCHEMBL737596 0.88 ALDH1A1 (0.35) CYP19A1DPP4ALDH1A1GAATSHR
SCHEMBL14121411 0.88 EPHX2 (0.34) CYP19A1EPHX2DPP4
SCHEMBL15131445 0.86 ALDH1A1 (0.33) ALDH1A1THRB
SCHEMBL12777555 0.86 CYP19A1 (0.33) CYP19A1EPHX2DPP4ALDH1A1CYP17A1
SCHEMBL18417858 0.83 EPHX2 (0.34) CYP19A1EPHX2CYP17A1
SCHEMBL76543 0.83 DPP4 (0.38) DPP4ALDH1A1GAATSHRTHRB
SCHEMBL18429993 0.82 ALDH1A1 (0.31) DPP4ALDH1A1TSHR
SCHEMBL677896 0.82 ALDH1A1 (0.35) DPP4ALDH1A1TSHR
SCHEMBL12153603 0.81 GAA (0.33) EPHX2DPP4ALDH1A1GAATHRB

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
US-8603728-B2 Polymer composition and photoresist comprising the polymer ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2013-12-10 US disclosed
US-20130189621-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND JSR CORPORATION (JP) 2013-07-25 US disclosed
US-20130189621-A1 RADIATION-SENSITIVE RESIN COMPOSITION, POLYMER AND COMPOUND JSR CORPORATION (JP) 2013-07-25 US disclosed
US-20120301823-A1 POLYMER COMPOSITION AND PHOTORESIST COMPRISING THE POLYMER DOW GLOBAL TECHNOLOGIES LLC (US) 2012-11-29 US disclosed
US-20120301823-A1 POLYMER COMPOSITION AND PHOTORESIST COMPRISING THE POLYMER DOW GLOBAL TECHNOLOGIES LLC (US) 2012-11-29 US disclosed
US-20120301823-A1 POLYMER COMPOSITION AND PHOTORESIST COMPRISING THE POLYMER DOW GLOBAL TECHNOLOGIES LLC (US) 2012-11-29 US disclosed