SCHEMBL11264796

SCHEMBL11264796

CCCCCCCCCCCCCCCCCCCCCCNCCN1CCN=C(C)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.34
S1PR2 O95136 5/20 0.32
S1PR4 O95977 5/20 0.32
S1PR1 P21453 5/20 0.32
S1PR3 Q99500 5/20 0.32
S1PR5 Q9H228 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
DPP4 P27487 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL11130692 1.00 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11128278 1.00 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11271410 0.99 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11259239 0.88 ALDH1A1 (0.36) ALDH1A1GAAMAPTTHRB
SCHEMBL11260602 0.87 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11252129 0.87 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11264220 0.86 ALDH1A1 (0.51) ALDH1A1GAAMAPTTHRB
SCHEMBL11252637 0.86 ALDH1A1 (0.51) ALDH1A1GAAMAPTTHRB
SCHEMBL11262212 0.84 ALDH1A1 (0.35) ALDH1A1GAAMAPTTHRB
SCHEMBL11270392 0.84 ALDH1A1 (0.35) ALDH1A1GAAMAPTTHRB

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
US-4346087-A CORROSION RESISTANCE TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-24 US disclosed