SCHEMBL8639778

SCHEMBL8639778

CN(C)CCNC(=O)c1ccccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.60
ALDH1A1 P00352 5/20 0.56
HTT P42858 2/20 0.56
HSD17B10 Q99714 2/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.56
MAPT P10636 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NLRP1 Q9C000 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
ESRRG P62508 1/20 0.54
AOX1 Q06278 1/20 0.52
CYP1A2 P05177 1/20 0.51
RAD52 P43351 2/20 0.51
HTR2C P28335 1/20 0.50

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
SCHEMBL8639193 0.90 ALDH1A1 (0.66) NAAAALDH1A1HTTHSD17B10HPGD
Hydrochloric Acid SCHEMBL11319796 0.89 ALDH1A1 (0.64) NAAAALDH1A1HTTHSD17B10HPGD
SCHEMBL12704483 0.88 NAAA (0.71) NAAAALDH1A1HTTHSD17B10HPGD
SCHEMBL5143551 0.88 NAAA (0.71) NAAAALDH1A1HTTHSD17B10HPGD
Hydrochloric Acid SCHEMBL1543207 0.86 NAAA (0.69) NAAAALDH1A1HTTHSD17B10HPGD
SCHEMBL14035537 0.86 HTT (0.59) NAAAALDH1A1HTTHSD17B10HPGD
SCHEMBL1657836 0.84 ALDH1A1 (0.55) NAAAALDH1A1HTTHSD17B10HPGD
Salethamide SCHEMBL588724 0.84 ALDH1A1 (0.71) NAAAALDH1A1HTTHSD17B10HPGD
SCHEMBL5707054 0.84 HTT (0.69) NAAAALDH1A1HTTHSD17B10HPGD
SCHEMBL31119120 0.84 HTT (0.69) NAAAALDH1A1HTTHSD17B10HPGD

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-5753407-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1998-05-19 US disclosed
US-5585217-A Polyamic acid composition KABUSHIKI KAISHA TOSHIBA (JP) 1996-12-17 US disclosed