SCHEMBL103728

SCHEMBL103728

C/C=C\c1cc(C(=O)OC)ccc1N1CCN(C(=O)OC(C)(C)C)C[C@H]1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
NR1H2 P55055 1/20 0.41
SETD7 Q8WTS6 1/20 0.40
GPR119 Q8TDV5 11/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ABCB1 P08183 1/20 0.37
PKM P14618 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 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
SCHEMBL135245 0.90 SMARCA2 (0.47) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL135248 0.90 SMARCA2 (0.47) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL135247 0.90 SMARCA2 (0.47) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL135246 0.90 SMARCA2 (0.47) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL3604311 0.87 ALDH1A1 (0.40) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL3604315 0.87 ALDH1A1 (0.40) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL3604313 0.87 ALDH1A1 (0.40) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL103065 0.87 NR1H2 (0.46) NR1H2GPR119KDM4ENPC1ALDH1A1
SCHEMBL16549836 0.85 GPR119 (0.39) NR1H2SETD7GPR119KDM4ENPC1
SCHEMBL16549837 0.85 GPR119 (0.39) NR1H2SETD7GPR119KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed