SCHEMBL19595658

SCHEMBL19595658

CCc1cc(CC)c(OC#N)c(C)c1OC#N

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 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
SCHEMBL17661744 0.82 GABRA1 (0.41)
SCHEMBL15946426 0.78 ATM (0.35) ALDH1A1MAPTHTT
SCHEMBL23597026 0.78 DHFR (0.36)
SCHEMBL19595648 0.77 ALDH1A1 (0.33) ALDH1A1MAPTHTT
SCHEMBL2589747 0.73
SCHEMBL15946436 0.71 PPARG (0.42) ALDH1A1MAPT
SCHEMBL10978258 0.70
SCHEMBL1742691 0.69
SCHEMBL16707441 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8901133 0.68

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-3307709-B1 METHOD FOR THE PREPARATION OF POLYMER CARBODIIMIDES WITH THE ADDITION OF CAESIUM SALTS, POLYMERIC CARBODIIMIDES AND THEIR USE LANXESS DEUTSCHLAND GMBH (DE) 2019-02-13 EP disclosed
EP-2997010-B1 NOVEL CARBODIIMIDES WITH UREA AND/OR URETHANE TERMINAL GROUPS, PROCESS FOR THEIR PREPARATION AND THEIR USE LANXESS DEUTSCHLAND GMBH (DE) 2017-11-15 EP disclosed