SCHEMBL102705

SCHEMBL102705

C/C=C\c1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.48
MAPT P10636 2/20 0.42
GPR119 Q8TDV5 3/20 0.41
PDK2 Q15119 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ENPP2 Q13822 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39

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
SCHEMBL106273 0.96 MAPT (0.46) RORCMAPTGPR119PDK2ENPP2
SCHEMBL106274 0.96 MAPT (0.46) RORCMAPTGPR119PDK2ENPP2
SCHEMBL104144 0.87 RORC (0.46) RORCGPR119SMARCA2SMARCA4PBRM1
SCHEMBL104145 0.87 RORC (0.46) RORCGPR119SMARCA2SMARCA4PBRM1
SCHEMBL104146 0.87 RORC (0.46) RORCGPR119SMARCA2SMARCA4PBRM1
SCHEMBL103326 0.87 RORC (0.46) RORCGPR119SMARCA2SMARCA4PBRM1
SCHEMBL102624 0.87 RORC (0.41) RORC
SCHEMBL102623 0.87 RORC (0.41) RORC
SCHEMBL168097 0.81 SLC2A1 (0.44) RORCGPR119PDK2SMARCA2SMARCA4
SCHEMBL168096 0.81 SLC2A1 (0.44) RORCGPR119PDK2SMARCA2SMARCA4

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