SCHEMBL7550987

SCHEMBL7550987

C=CC(=O)OC(C)COC(=O)c1ccccc1C(=O)OCC(C)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.58
ALDH1A1 P00352 4/20 0.58
CYP3A4 P08684 3/20 0.46
ADRB2 P07550 6/20 0.46
ADRB1 P08588 6/20 0.46
ADRB3 P13945 6/20 0.46
CA2 P00918 1/20 0.42
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL181429 0.96 TSHR (0.63) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL31088230 0.90 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4ADRB2ADRB1
Phthalic Acid SCHEMBL28853206 0.90 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL181430 0.90 ALDH1A1 (0.56) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL27936439 0.88 ALDH1A1 (0.59) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL28071258 0.88 TSHR (0.53) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL22471799 0.86 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL28732727 0.85 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL19663974 0.85 ALDH1A1 (0.50) TSHRALDH1A1CYP3A4ADRB2ADRB1
SCHEMBL16892650 0.84 TSHR (0.55) TSHRALDH1A1CYP3A4ADRB2ADRB1

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
CN-115542668-A Photosensitive resin composition 东京应化工业株式会社 2022-12-30 CN disclosed
EP-0919870-B1 Photosensitive resin composition and photosensitive element using the resin composition NICHIGO MORTON CO LTD (JP) 2002-07-03 EP disclosed
US-6242158-B1 POLYMER WITH CARBOXY DERIVATIVES, ETHYLENE AND ACRYLIC ESTER DERIVATIVES NICHIGO-MORTON CO., LTD. (JP) 2001-06-05 US disclosed
EP-0919870-A1 Photosensitive resin composition and photosensitive element using the resin composition Nichigo-Morton Co Ltd (JP) 1999-06-02 EP disclosed
US-4038078-A PROCESS USING SUCTION TO FORM RELIEF IMAGES NIPPON PAINT CO., LTD. (JA) 1977-07-26 US disclosed
US-4017506-A Process for the preparation of 2-benzo thiazole sulphinamides UGINE KUHLMANN (FR) 1977-04-12 US disclosed