SCHEMBL4590729

SCHEMBL4590729

CC(O)CCCCCCCCCCCCCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
DNM1 Q05193 3/20 0.46
TRPV1 Q8NER1 1/20 0.37
TRPA1 O75762 1/20 0.37
MAPT P10636 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
KDM4A O75164 5/20 0.34
KDM4C Q9H3R0 5/20 0.34
KDM5A P29375 1/20 0.34
KDM7A Q6ZMT4 1/20 0.34
PHF8 Q9UPP1 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34

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
SCHEMBL10441028 1.00 ALDH1A1 (0.55) ALDH1A1TSHRDNM1TRPV1TRPA1
SCHEMBL10871343 1.00 ALDH1A1 (0.55) ALDH1A1TSHRDNM1TRPV1TRPA1
SCHEMBL7454184 0.97 ALDH1A1 (0.50) ALDH1A1TSHRDNM1TRPV1TRPA1
Ammonia Solution, Strong SCHEMBL3819671 0.95 ALDH1A1 (0.48) ALDH1A1TSHRDNM1TRPV1TRPA1
SCHEMBL22894143 0.90
SCHEMBL557310 0.90
SCHEMBL4604540 0.88 ALDH1A1 (0.42) ALDH1A1TSHRDNM1TRPV1TRPA1
SCHEMBL4604572 0.88 ALDH1A1 (0.42) ALDH1A1TSHRDNM1TRPV1TRPA1
2-Pentanol SCHEMBL27631349 0.82 DNM1 (0.62) ALDH1A1TSHRDNM1
SCHEMBL23817175 0.82 ALDH1A1 (0.58) ALDH1A1TSHRDNM1MAPTSIGMAR1

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-1858970-B1 BLOCKY HYDROXYETHYLCELLULOSE, DERIVATIVES THEREOF, PROCESS OF MAKING, AND USES THEREOF HERCULES INC (US) 2008-08-20 EP claimed