SCHEMBL8869148

SCHEMBL8869148

CC1(C)OCC(CCCC(=O)O)O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.43
CA2 P00918 2/20 0.41
TMEM97 Q5BJF2 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
ALOX5 P09917 1/20 0.38
UGT2B7 P16662 1/20 0.37
TBXAS1 P24557 5/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.33
LMNA P02545 1/20 0.33
AKR1B1 P15121 1/20 0.32

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
SCHEMBL8869137 1.00 TBXA2R (0.43) TBXA2RCA2TMEM97SIGMAR1ALOX5
SCHEMBL29060379 0.95 TBXA2R (0.42) TBXA2RCA2TMEM97SIGMAR1ALOX5
SCHEMBL10309083 0.95 TBXA2R (0.42) TBXA2RCA2TMEM97SIGMAR1ALOX5
SCHEMBL15198688 0.93 TBXA2R (0.41) TBXA2RCA2TMEM97SIGMAR1ALOX5
SCHEMBL7154220 0.89 CA2 (0.44) TBXA2RCA2TMEM97SIGMAR1UGT2B7
SCHEMBL7157022 0.89 CA2 (0.44) TBXA2RCA2TMEM97SIGMAR1UGT2B7
SCHEMBL5316548 0.89 CA2 (0.44) TBXA2RCA2TMEM97SIGMAR1UGT2B7
SCHEMBL6521316 0.83 CA2 (0.41) TBXA2RCA2TMEM97SIGMAR1TBXAS1
SCHEMBL24326321 0.82 TSHR (0.42) CA2TMEM97SIGMAR1ALDH1A1NPSR1
SCHEMBL1842907 0.82 TSHR (0.42) CA2TMEM97SIGMAR1ALDH1A1NPSR1

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
CN-1308071-A Bicyclic DNA gyrase inhibitor HOFFMANN LA ROCHE (CH) 2001-08-15 CN disclosed
US-5665746-A BACTERICIDE HOFFMANN-LA ROCHE INC. (US) 1997-09-09 US disclosed
US-5594135-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1997-01-14 US disclosed
US-5589473-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1996-12-31 US disclosed
CN-1114648-A Novel monocyclic and bicyclic DNA gyrase inhibitors HOFFMANN LA ROCHE (CH) 1996-01-10 CN disclosed
EP-0675122-A2 Mono or bicyclic DNA gyrase inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1995-10-04 EP disclosed