SCHEMBL9854650

SCHEMBL9854650

C=CC(=O)OCC(C)ONC(=O)c1ccccc1C(=O)NOC(C)COC(=O)C=C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
ALDH1A1 P00352 2/20 0.44
THRB P10828 1/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
LIG1 P18858 1/20 0.38
CYP3A4 P08684 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
CTSD P07339 1/20 0.36
HTT P42858 1/20 0.35
P2RX4 Q99571 1/20 0.34

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
SCHEMBL3865785 0.85 TSHR (0.54) TSHRALDH1A1THRBKMT2AHPGD
SCHEMBL9854439 0.79 LIG1 (0.36) ALDH1A1THRBADRB2ADRB1ADRB3
SCHEMBL7174925 0.79 TSHR (0.54) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL2534624 0.75 ALDH1A1 (0.53) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL29868264 0.75 ALDH1A1 (0.53) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL13289952 0.75 SMN1; SMN2 (0.49) TSHRALDH1A1THRBADRB2ADRB1
SCHEMBL9854446 0.75 THRB (0.54) TSHRALDH1A1THRBLIG1CYP3A4
SCHEMBL181493 0.75 TSHR (0.56) TSHRALDH1A1THRB
SCHEMBL181429 0.74 TSHR (0.63) TSHRALDH1A1ADRB2ADRB1ADRB3
Phthalic Acid SCHEMBL28073743 0.72 TSHR (0.49) TSHRALDH1A1THRBADRB2ADRB1

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
EP-0412851-A2 Photosensitive member and multi-color image forming method CANON KABUSHIKI KAISHA (JP) 1991-02-13 EP disclosed
EP-0363790-A2 Image forming method and image forming medium CANON KABUSHIKI KAISHA (JP) 1990-04-18 EP disclosed
EP-0362827-A1 Image forming method and image forming medium CANON KABUSHIKI KAISHA (JP) 1990-04-11 EP disclosed
EP-0360014-A1 Photosensitive material and image forming method using same CANON KABUSHIKI KAISHA (JP) 1990-03-28 EP disclosed