SCHEMBL8550600

SCHEMBL8550600

Cc1cc[n+]([O-])cc1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
RAB9A P51151 6/20 0.44
NPC1 O15118 3/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.43

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
SCHEMBL27006674 0.82 TSHR (0.50) ALDH1A1L3MBTL1TSHRCYP3A4KMT2A
SCHEMBL2705753 0.79 ALDH1A1 (0.69) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL29353285 0.79 ALDH1A1 (0.69) ALDH1A1TDP1L3MBTL1TSHRMAPK1
Hydrochloric Acid SCHEMBL27584631 0.77 ALDH1A1 (0.67) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL9692230 0.76 MAPT (0.48) ALDH1A1TDP1L3MBTL1TSHRKMT2A
SCHEMBL26188531 0.74 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL18717240 0.74 TDP1 (0.59) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL4881052 0.73 MEN1 (0.46) ALDH1A1TDP1TSHRKMT2AMAPT
SCHEMBL8550289 0.73 RAB9A (0.47) ALDH1A1TDP1L3MBTL1TSHRMAPK1
SCHEMBL50441 0.73 ALDH1A1 (0.89) ALDH1A1TDP1L3MBTL1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714393-B1 THIAZOLES AS ANTIVIRAL PFIZER (US) 1998-09-23 EP disclosed
US-5789408-A Antiviral thiazoles PFIZER INC. (US) 1998-08-04 US disclosed
EP-0714393-A1 THIAZOLES AS ANTIVIRAL PFIZER INC. (US) 1996-06-05 EP disclosed
WO-1995005378-A1 ANTIVIRAL THIAZOLES PFIZER INC. (US) 1995-02-23 WO disclosed