SCHEMBL102973

SCHEMBL102973

C/C=C\c1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CC[N+](C(=O)[O-])(C(C)(C)C)CC1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.35
NR1I2 O75469 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
SRPK1 Q96SB4 1/20 0.31

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
SCHEMBL106404 0.83 RORC (0.39) RORCLIPG
SCHEMBL106403 0.83 RORC (0.39) RORCLIPG
SCHEMBL168097 0.82 SLC2A1 (0.44) RORC
SCHEMBL168096 0.82 SLC2A1 (0.44) RORC
SCHEMBL3592710 0.80 GRM5 (0.41) RORC
SCHEMBL103414 0.80 GRM5 (0.41) RORC
SCHEMBL138523 0.80 HTR1A (0.41) RORCNR1I2
SCHEMBL138524 0.80 HTR1A (0.41) RORCNR1I2
SCHEMBL103873 0.76 SMARCA2 (0.43) RORC
SCHEMBL103871 0.76 SMARCA2 (0.43) RORC

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