SCHEMBL29286594

SCHEMBL29286594

CCc1oc2ccccc2c1C(=O)c1cc(C(F)(F)F)c(O)c(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 8/20 0.70
▸ CYP2C19 P33261 7/20 0.70
▸ CYP2C9 P11712 5/20 0.70
▸ TTR P02766 5/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ ABCB11 O95342 2/20 0.70
▸ LMNA P02545 2/20 0.70
▸ PGR P06401 2/20 0.70
▸ ADRA2A P08913 2/20 0.70
▸ TBXA2R P21731 2/20 0.70
▸ OPRM1 P35372 2/20 0.70
▸ SLC6A3 Q01959 2/20 0.70
▸ KMT2A Q03164 2/20 0.70
▸ BIRC5 O15392 1/20 0.70
▸ HTR1A P08908 1/20 0.70
▸ DRD1 P21728 1/20 0.70
▸ PTGS1 P23219 1/20 0.70
▸ SLC6A2 P23975 1/20 0.70
▸ PDE4A P27815 1/20 0.70
▸ ADORA1 P30542 1/20 0.70

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
SCHEMBL29286589 0.92 EYA3 (0.80) EYA3CYP2C19CYP2C9TTRMEN1
SCHEMBL28104485 0.89 CYP2C19 (0.59) EYA3CYP2C19CYP2C9TTRMEN1
SCHEMBL1287589 0.89 EYA3 (0.71) EYA3CYP2C19CYP2C9TTRMEN1
Benziodarone SCHEMBL31326233 0.82 EYA3 (1.00) EYA3CYP2C19CYP2C9TTRMEN1
SCHEMBL1287573 0.82 CYP2C19 (1.00) EYA3CYP2C19CYP2C9TTRMEN1
Benziodarone SCHEMBL308541 0.82 EYA3 (1.00) EYA3CYP2C19CYP2C9TTRMEN1
SCHEMBL1287534 0.81 CYP2C19 (0.74) EYA3CYP2C19CYP2C9TTRMEN1
SCHEMBL18629878 0.81 CYP2C19 (0.74) EYA3CYP2C19CYP2C9TTRMEN1
Benzbromarone SCHEMBL19205474 0.81 SLC22A12 (1.00) EYA3CYP2C19CYP2C9TTRMEN1
Benzbromarone SCHEMBL29361528 0.81 SLC22A12 (1.00) EYA3CYP2C19CYP2C9TTRMEN1

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
CN-106065010-B For treating or preventing the compound of hyperuricemia or gout 镇江新元素医药科技有限公司 2019-01-01 — — CN disclosed
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