SCHEMBL5665809

SCHEMBL5665809

C=CC(=O)NCC(S)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 2/20 0.38
HTT P42858 1/20 0.36
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 2/20 0.34
GSTO1 P78417 1/20 0.34
LMNA P02545 1/20 0.34
AKT1 P31749 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL8943316 0.76 TGM2 (0.44) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL28717475 0.74 TGM2 (0.48) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL10408489 0.70 MDM2 (0.47) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL9248562 0.70 MDM2 (0.47) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL17183746 0.70 NPC1 (0.54) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL23886140 0.70 CNR1 (0.51) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3187688 0.70 CPA1 (0.44) CYP2C19TSHR
SCHEMBL9357443 0.69 MDM2 (0.46) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL17183649 0.68 MTNR1A (0.48) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19368239 0.68 KCNA3 (0.53) TGM2ALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320553-A4 NOVEL POLYMER COMPOUNDS PHAIRSON MEDICAL INC (GB) 2006-03-15 EP disclosed
EP-1320553-A1 NOVEL POLYMER COMPOUNDS Phairson Medical, Inc. (GB) 2003-06-25 EP disclosed
WO-2002016443-A1 NOVEL POLYMER COMPOUNDS PHAIRSON MEDICAL INC. (GB) 2002-02-28 WO disclosed