SCHEMBL5284414

SCHEMBL5284414

CC(C)(C)c1ccc(OCC(=O)O)c(C(C)(C)C)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.70
CYP2C19 P33261 1/20 0.70
SMN1; SMN2 Q16637 3/20 0.58
ELANE P08246 1/20 0.49
CD69 Q07108 1/20 0.49
TRPV1 Q8NER1 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
FFAR1 O14842 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL5324476 0.89 CYP2C19 (0.65) PTGDR2CYP2C19SMN1; SMN2FFAR1RXRA
SCHEMBL8161368 0.88 SMN1; SMN2 (0.64) PTGDR2CYP2C19SMN1; SMN2ELANECD69
SCHEMBL13757719 0.87 CYP2C19 (0.74) PTGDR2CYP2C19SMN1; SMN2ELANECD69
SCHEMBL17896571 0.85 CYP2C19 (0.72) PTGDR2CYP2C19SMN1; SMN2ELANECD69
SCHEMBL20669301 0.84 PTGDR2 (0.51) PTGDR2CYP2C19SMN1; SMN2TRPV1NPSR1
SCHEMBL8876390 0.84 CYP2C19 (0.51) PTGDR2CYP2C19SMN1; SMN2NPSR1ALDH1A1
SCHEMBL5321778 0.84 PTGDR2 (0.70) PTGDR2CYP2C19SMN1; SMN2NPSR1MEN1
SCHEMBL8671367 0.84 PTGDR2 (0.70) PTGDR2CYP2C19SMN1; SMN2ELANENPSR1
SCHEMBL30539441 0.83 CYP2C19 (0.54) PTGDR2CYP2C19SMN1; SMN2NPSR1ALDH1A1
SCHEMBL13624055 0.83 CYP2C19 (0.68) PTGDR2CYP2C19SMN1; SMN2ELANECD69

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4950782-A Low plate-out polycarbonates GENERAL ELECTRIC COMPANY (US) 1990-08-21 US claimed
CN-110449131-B Adsorbent for removing radioactive thorium and uranium impurities in high-purity rare earth product and removing method 福建省长汀金龙稀土有限公司 2022-10-28 CN disclosed
CN-110449131-A Remove the adsorbent and minimizing technology of radiothorium and uranium impurity in high pure rare earth product FUJIAN CHANGJIANG GOLDEN DRAGON RARE EARTH CO LTD 2019-11-15 CN disclosed
EP-1857440-A1 Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist; and pharmaceutical compositions containing the same Amorepacific Corporation (KR) 2007-11-21 EP disclosed
EP-0324917-B1 LOW PLATE-OUT POLYCARBONATES GENERAL ELECTRIC COMPANY (US) 1993-06-30 EP disclosed
US-4950782-A Low plate-out polycarbonates GENERAL ELECTRIC COMPANY (US) 1990-08-21 US disclosed
EP-0324917-A1 Low plate-out polycarbonates GENERAL ELECTRIC COMPANY (US) 1989-07-26 EP disclosed
US-4841015-A Low plate-out polycarbonate end capped with phenoxy acetic acid GENERAL ELECTRIC COMPANY (US) 1989-06-20 US disclosed