SCHEMBL9685718

SCHEMBL9685718

CCOC(=O)[C@H]1CC(OS(=O)(=O)c2ccc(C)cc2)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
KMT2A Q03164 5/20 0.61
LMNA P02545 2/20 0.61
TSHR P16473 3/20 0.47
GAA P10253 2/20 0.47
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MMP2 P08253 1/20 0.44
ANPEP P15144 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP2D6 P10635 1/20 0.44
FKBP1A P62942 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL1568318 1.00 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL1568322 1.00 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL1568324 1.00 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL8299354 0.88 ALDH1A1 (0.59) ALDH1A1KMT2ALMNATSHRPOLB
SCHEMBL13708370 0.88 ALDH1A1 (0.59) ALDH1A1KMT2ALMNATSHRPOLB
SCHEMBL9587662 0.86 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL2390146 0.86 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL1571210 0.86 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL2391096 0.86 ALDH1A1 (0.61) ALDH1A1KMT2ALMNATSHRGAA
SCHEMBL10907052 0.86 POLB (0.52) ALDH1A1KMT2ALMNATSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed