SCHEMBL8098437

SCHEMBL8098437

CCOC(=O)CSCCNc1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 4/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 5/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 1/20 0.48
XBP1 P17861 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
IDH1 O75874 2/20 0.47
ALOX12 P18054 2/20 0.47
ATM Q13315 2/20 0.47
F2 P00734 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TRPV4 Q9HBA0 1/20 0.46
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 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
SCHEMBL14955457 0.84 TRPV4 (0.55) SMN1; SMN2ALDH1A1HPGDGAAMAPT
SCHEMBL696485 0.82 IDH1 (0.62) SMN1; SMN2ALDH1A1HPGDGAAMAPT
SCHEMBL11305074 0.81 TRPV4 (0.53) SMN1; SMN2ALDH1A1HPGDGAAMAPT
SCHEMBL333191 0.76 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL6464917 0.75 KDM4E (0.60) ALDH1A1HPGDGAAMAPTMEN1
SCHEMBL7565660 0.74 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HPGDGAAMAPT
SCHEMBL27993813 0.73 RXFP1 (0.55) SMN1; SMN2ALDH1A1HPGDGAAMAPT
SCHEMBL6434867 0.73 RXFP1 (0.61) SMN1; SMN2CYP1A2CYP2C9CYP2C19RXFP1
SCHEMBL11121506 0.73 HDAC3 (0.54) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL9584096 0.72 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HPGDGAAMAPT

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-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
CN-1039492-C Herbicides ZENECA LTD (GB) 1998-08-12 CN disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
CN-1095066-A Weedicide ZENECA LTD (GB) 1994-11-16 CN disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed