SCHEMBL8016404

SCHEMBL8016404

NC(NCCO)C(O)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.45
LMNA P02545 4/20 0.45
SLC6A2 P23975 4/20 0.45
OPRM1 P35372 4/20 0.45
ADRA1A P35348 4/20 0.45
ADRB2 P07550 3/20 0.45
SLC6A4 P31645 3/20 0.45
CYP2D6 P10635 3/20 0.45
SLC6A3 Q01959 3/20 0.45
ADRB1 P08588 2/20 0.45
OPRK1 P41145 2/20 0.45
GALR3 O60755 1/20 0.45
ADRB3 P13945 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 2/20 0.41

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
SCHEMBL6848569 0.81 LMNA (0.47) HIF1ALMNASLC6A2OPRM1ADRA1A
SCHEMBL3675296 0.72 LMNA (0.46) HIF1ALMNASLC6A2OPRM1ADRA1A
SCHEMBL3649813 0.68 ESR1 (0.55) HIF1ALMNASLC6A2OPRM1ADRA1A
SCHEMBL12327370 0.66 HIF1A (0.46) HIF1ALMNASLC6A2OPRM1ADRA1A
SCHEMBL2252628 0.66 KDM4E (0.64) HIF1ALMNAADRA1AADRB2CYP2D6
SCHEMBL1262889 0.66 KDM4E (0.64) HIF1ALMNAADRA1AADRB2CYP2D6
SCHEMBL723104 0.66 KDM4E (0.64) HIF1ALMNAADRA1AADRB2CYP2D6
SCHEMBL5076516 0.66 KDM4E (0.64) HIF1ALMNAADRA1AADRB2CYP2D6
SCHEMBL14465577 0.66 KDM4E (0.64) HIF1ALMNAADRA1AADRB2CYP2D6
SCHEMBL7740121 0.66 PPARG (0.48) HIF1ALMNASLC6A2OPRM1ADRA1A

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-6146429-A DEVELOPER, COUPLER, BEESWAX AND PROTEIN HYDROLYZATES OR AMINO ACIDS WELLA AKTIENGESELLSCHAFT (DE) 2000-11-14 US disclosed