SCHEMBL10211

SCHEMBL10211

COOC(=O)CCC(=O)OOC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA1A P35348 1/20 0.36
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PHF8 Q9UPP1 1/20 0.35

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
SCHEMBL3300140 0.89 TSHR (0.46) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL10214 0.89 EGLN1 (0.50) TSHRLMNAKDM4EALDH1A1KDM6B
SCHEMBL30150833 0.89 ALDH1A1 (0.53) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL11672385 0.87 EGLN1 (0.48) TSHRLMNAKDM4EALDH1A1KDM6B
SCHEMBL21725259 0.85
SCHEMBL450087 0.85
SCHEMBL20384143 0.85 TSHR (0.50) TSHRLMNAALDH1A1MAPTKMT2A
SCHEMBL7054607 0.84 TSHR (0.42) TSHRLMNAKDM4EALDH1A1HSD17B10
SCHEMBL11672397 0.84 FFAR3 (0.44) TSHR
Methyl Alcohol SCHEMBL28098312 0.83 ALDH1A1 (0.55) TSHRLMNAALDH1A1CA12CA14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5565447-A ALMOTRIPTAN MALATE; TREATING HEADACHES, MOVEMENT DISORDERS, DEPRESSION, ANXIETY LABORATORIOS ALMIRALL S.A. (ES) 1996-10-15 US disclosed
EP-0206375-A1 Liquid cleaning and softening compositions UNILEVER N.V. (NL) 1986-12-30 EP disclosed
EP-0203660-A1 Liquid cleaning and softening compositions UNILEVER N.V. (NL) 1986-12-03 EP disclosed