SCHEMBL6954585

SCHEMBL6954585

CC(C)C(Cc1ccc(OCCn2ccc3ccccc3c2=O)cc1)C(N)=S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.41
PPARG P37231 7/20 0.40
FFAR1 O14842 1/20 0.40
PPARA Q07869 5/20 0.39
PPARD Q03181 3/20 0.39
PSMB1 P20618 2/20 0.39
PSMB5 P28074 2/20 0.39
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KCNA5 P22460 1/20 0.37
KCNJ5 P48544 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
SCHEMBL6957510 0.83 MAPK1 (0.57) RAB9AMAPK1HTTMEN1ALDH1A1
SCHEMBL6956263 0.82 PPARG (0.45) TNFPPARGFFAR1PPARAPPARD
SCHEMBL6954580 0.81 TNF (0.41) TNFPPARGFFAR1PPARAPPARD
SCHEMBL6949013 0.79 PPARG (0.47) PPARGPPARAPPARD
SCHEMBL6952622 0.79 TNF (0.44) TNFPPARGFFAR1PPARAPPARD
SCHEMBL6952202 0.78 PPARG (0.45) TNFPPARGFFAR1PPARAPPARD
SCHEMBL6952396 0.78 MEN1 (0.46) TNFPPARGPPARAPPARDRAB9A
SCHEMBL6957273 0.78 PPARG (0.47) TNFPPARGPPARAPPARDRAB9A
SCHEMBL8305576 0.76 ACKR3 (0.49) PPARGRAB9AGAACYP2C9HPGD
SCHEMBL6957154 0.76 TNF (0.49) TNFPPARGFFAR1PPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed