SCHEMBL7848014

SCHEMBL7848014

CCOc1ccc(S(=O)(=O)Cl)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
TRPV4 Q9HBA0 1/20 0.41
ERN1 O75460 1/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 7/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 1/20 0.40
NTSR1 P30989 1/20 0.40
CCR6 P51684 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TACR2 P21452 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.37

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
SCHEMBL15650824 0.84 LMNA (0.53) LMNATSHRGAAALDH1A1MAPT
SCHEMBL7917725 0.82 ALDH1A1 (0.48) LMNATRPV4ERN1HPGDTSHR
SCHEMBL2564265 0.82 ALDH1A1 (0.47) LMNATRPV4HPGDTSHRGAA
SCHEMBL1949836 0.79 HTT (0.57) LMNATRPV4HPGDTSHRGAA
SCHEMBL1489970 0.78 TSHR (0.53) LMNATSHRGAAALDH1A1MAPT
SCHEMBL8496034 0.78 SMN1; SMN2 (0.53) TRPV4HPGDALDH1A1MAPTKDM4E
SCHEMBL19692878 0.78 MAPT (0.44) LMNATRPV4HPGDTSHRALDH1A1
SCHEMBL10507450 0.77 LMNA (0.60) LMNAGAAALDH1A1MAPTHTT
SCHEMBL30902394 0.77 HPGD (0.64) LMNAERN1HPGDTSHRGAA
SCHEMBL1185190 0.77 HPGD (0.64) LMNAERN1HPGDTSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1208337-C Preparation of Xibo ketone GUANGZHOU BAIYUNSHAN MEDICINE (CN) 2005-06-29 CN disclosed
CN-1176081-C Intermediate for preparing sildenafic and preparing method thereof 广州白云山医药科技发展有限公司 2004-11-17 CN disclosed
CN-1454892-A Intermediate for preparing sildenafic and preparing method thereof BAIYUNSHAN MEDICINE SCI & TECH (CN) 2003-11-12 CN disclosed
CN-1406939-A Preparation of Xibo ketone BAIYUNSHAN MEDICINE SCIENCE & (CN) 2003-04-02 CN disclosed
WO-2001022918-A2 METHOD OF PREPARATION OF SILDENAFIL INST FARMACEUTYCZNY (PL) 2001-04-05 WO disclosed