SCHEMBL11845240

SCHEMBL11845240

Nc1ccc(Cc2oc3ccccc3c2C(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EYA3 Q99504 6/20 0.64
▸ SLC22A12 Q96S37 5/20 0.64
▸ PTPN1 P18031 6/20 0.59
▸ CYP2C19 P33261 4/20 0.54
▸ CYP2C9 P11712 5/20 0.54
▸ NR1H4 Q96RI1 4/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ ABCB11 O95342 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TTR P02766 2/20 0.45
▸ PGR P06401 2/20 0.45
▸ ADRA2A P08913 2/20 0.45
▸ TBXA2R P21731 2/20 0.45
▸ OPRM1 P35372 2/20 0.45
▸ SLC6A3 Q01959 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ BIRC5 O15392 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ PTGS1 P23219 1/20 0.45

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
SCHEMBL6345467 0.90 EYA3 (0.71) EYA3SLC22A12PTPN1CYP2C19CYP2C9
SCHEMBL11672713 0.88 EYA3 (0.64) EYA3SLC22A12PTPN1CYP2C19CYP2C9
SCHEMBL11851974 0.84 CYP2C19 (0.70) EYA3SLC22A12PTPN1CYP2C19CYP2C9
SCHEMBL11844578 0.83 EYA3 (0.59) EYA3SLC22A12PTPN1CYP2C19CYP2C9
SCHEMBL11734971 0.81 EYA3 (0.57) EYA3SLC22A12PTPN1CYP2C19CYP2C9
Benzarone SCHEMBL29576057 0.79 EYA3 (1.00) EYA3SLC22A12PTPN1CYP2C19CYP2C9
Benzarone SCHEMBL555497 0.79 EYA3 (1.00) EYA3SLC22A12PTPN1CYP2C19CYP2C9
SCHEMBL6342546 0.78 EYA3 (0.70) EYA3SLC22A12PTPN1CYP2C19CYP2C9
SCHEMBL3130469 0.78 EYA3 (0.72) EYA3SLC22A12PTPN1CYP2C19CYP2C9
Benzarone SCHEMBL28587332 0.78 EYA3 (0.97) EYA3SLC22A12PTPN1CYP2C19CYP2C9

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-3975537-A SUBSTITUTED BENZOFURANS SMITH KLINE (US) 1976-08-17 — — US disclosed
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