SCHEMBL22650884

SCHEMBL22650884

CC(=O)Oc1ccc(C(C)=O)cc1C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
ESRRA P11474 2/20 0.48
RARA P10276 2/20 0.46
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
TOP1 P11387 2/20 0.44
CREBBP Q92793 1/20 0.41
CFD P00746 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 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
SCHEMBL6841190 0.88 TSHR (0.67) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL10428428 0.87 NR1H4 (0.48) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL2773345 0.84 RARA (0.61) TSHRALDH1A1GAAESRRARARA
SCHEMBL13424093 0.82 ESRRA (0.42) TSHRALDH1A1GAANR1H4ESRRA
SCHEMBL7570534 0.81 KDM4E (0.53) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL9247660 0.81 NR1H4 (0.48) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL11229207 0.81 APEX1 (0.50) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL3864856 0.81 ALDH1A1 (0.50) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL6550416 0.80 TSHR (0.75) TSHRKDM4EALDH1A1GAARAB9A
SCHEMBL12388282 0.79 ALDH1A1 (0.45) ALDH1A1ESRRARARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354512-A1 POLYMER, COMPOSITION, MOLDED ARTICLE, CURED PRODUCT, AND LAMINATE JSR CORPORATION (JP) 2020-11-12 US disclosed