SCHEMBL13042709

SCHEMBL13042709

O=C(CC(C(=O)O)C(CC(=O)NCCCCCCNC(=O)C1C2C=CC(C2)C1C(=O)O)C(=O)O)NCCCCCCNC(=O)C1C2C=CC(C2)C1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TAAR1 Q96RJ0 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 1/20 0.47
APEX1 P27695 1/20 0.43
CASP6 P55212 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL11573958 0.80 ALDH1A1 (0.58) ALDH1A1TAAR1NPSR1POLBTDP1
SCHEMBL3457059 0.80 ALDH1A1 (0.58) ALDH1A1TAAR1NPSR1POLBTDP1
SCHEMBL7841501 0.80 ALDH1A1 (0.58) ALDH1A1TAAR1NPSR1POLBTDP1
SCHEMBL17817475 0.80 ALDH1A1 (0.58) ALDH1A1TAAR1NPSR1POLBTDP1
SCHEMBL13078304 0.79 ALDH1A1 (0.66) ALDH1A1TAAR1NPSR1POLBTDP1
SCHEMBL13042725 0.75 ALDH1A1 (0.52) ALDH1A1TAAR1NPSR1POLBTDP1
SCHEMBL5862608 0.73 ALDH1A1 (0.65) ALDH1A1TAAR1NPSR1POLBTDP1
SCHEMBL12977010 0.72 TAAR1 (0.54) ALDH1A1TAAR1NPSR1POLBTDP1
SCHEMBL24843163 0.71 ALDH1A1 (0.55) ALDH1A1TAAR1NPSR1POLBTDP1
SCHEMBL12977043 0.71 ALDH1A1 (0.55) ALDH1A1TAAR1NPSR1POLBTDP1

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
US-7829967-B2 Resin for optical-semiconductor-element encapsulation containing polyimide and optical semiconductor device obtained with the same NITTO DENKO CORPORATION (JP) 2010-11-09 US disclosed
US-20090121255-A1 RESIN FOR OPTICAL-SEMICONDUCTOR-ELEMENT ENCAPSULATION CONTAINING POLYIMIDE AND OPTICAL SEMICONDUCTOR DEVICE OBTAINED WITH THE SAME NITTO DENKO CORPORATION (JP) 2009-05-14 US disclosed