SCHEMBL8428901

SCHEMBL8428901

CCOC(=O)[CH]CCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.48
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 6/20 0.41
MAPT P10636 4/20 0.41
FFAR1 O14842 1/20 0.41
CYP19A1 P11511 1/20 0.41
RXRA P19793 1/20 0.41
PPARG P37231 1/20 0.41
OXER1 Q8TDS5 1/20 0.41
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CYP2D6 P10635 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 2/20 0.36
MGAM O43451 1/20 0.36

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
SCHEMBL1260685 0.83 CYP1A2 (0.47) HCAR2NPSR1ALDH1A1MAPTLMNA
SCHEMBL127082 0.79
SCHEMBL7742892 0.79 TSHR (0.46) HCAR2NPSR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL15283301 0.77 HCAR2 (0.52) HCAR2NPSR1ALDH1A1MAPTFFAR3
SCHEMBL10399325 0.77 TSHR (0.43) HCAR2NPSR1ALDH1A1MAPTFFAR1
SCHEMBL10904413 0.77 MAPT (0.43) HCAR2NPSR1ALDH1A1MAPTLMNA
SCHEMBL10902811 0.77 MAPT (0.43) HCAR2NPSR1ALDH1A1MAPTLMNA
SCHEMBL129526 0.76 MAPT (0.46) HCAR2NPSR1ALDH1A1MAPTLMNA
SCHEMBL2408656 0.76
SCHEMBL10772584 0.76

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-5958952-A CONTROLLING AGGREGATION OF CELLS; ANTITUMOR AGENT DR. KARL THOMAE GMBH (DE) 1999-09-28 US disclosed
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed