SCHEMBL9050322

SCHEMBL9050322

COc1ccc2c(OC=O)cccc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.37
▸ TLR2 O60603 1/20 0.37
▸ TLR1 Q15399 1/20 0.37
▸ TLR6 Q9Y2C9 1/20 0.37
▸ IMPDH2 P12268 1/20 0.37
▸ IMPDH1 P20839 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ ATM Q13315 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ HPGDS O60760 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TNKS O95271 1/20 0.35
▸ TNKS2 Q9H2K2 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ EP300 Q09472 1/20 0.35

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
SCHEMBL14579653 0.84 TLR2 (0.44) ERN1TLR2TLR1TLR6IMPDH2
SCHEMBL14579654 0.81 IDO1 (0.53) IMPDH2IMPDH1KMT2AHPGDIDO1
SCHEMBL10527767 0.81 TLR2 (0.37) ERN1TLR2TLR1TLR6IMPDH2
SCHEMBL10530121 0.78 AKR1B10 (0.37) ERN1TLR2TLR1TLR6IMPDH2
SCHEMBL17086891 0.76 CYP19A1 (0.45) ERN1CYP19A1CYP11B1CYP11B2IDO1
SCHEMBL7692434 0.75 PARP1 (0.40) KMT2AMEN1ALDH1A1CYP2A6LMNA
SCHEMBL17291109 0.74 MAPT (0.38) IMPDH2IMPDH1KMT2AMEN1HPGD
SCHEMBL38659237 0.74 CYP19A1 (0.44) ERN1CYP19A1CYP11B1CYP11B2IDO1
SCHEMBL3795422 0.73 ERN1 (0.39) ERN1ALDH1A1LMNA
SCHEMBL9575280 0.72 IMPDH2 (0.62) IMPDH2IMPDH1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8268972-A — — None — — JP disclosed
JP-H08268972-A PRODUCTION OF 5-BROMO-6-METHOXY-1-NAPHTHALENE CARBOXYLIC ACID SUMIKIN CHEM CO LTD 1996-10-15 — — JP disclosed
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