SCHEMBL7638720

SCHEMBL7638720

CCOC(=O)/C=C(\C)C(=O)OC(=O)/C(C)=C/C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.57
HCAR2 Q8TDS4 1/20 0.43
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GLO1 Q04760 1/20 0.42
SOAT1 P35610 1/20 0.41
TRPA1 O75762 1/20 0.38
MAPT P10636 5/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
GALK1 P51570 1/20 0.37
CCR6 P51684 1/20 0.37
BLM P54132 1/20 0.37
MCL1 Q07820 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7638724 1.00 NPSR1 (0.57) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL17079947 0.90 SOAT1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL5612231 0.89 NPSR1 (0.65) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL5667523 0.89 NPSR1 (0.65) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL1321694 0.89 NPSR1 (0.65) NPSR1HCAR2ALDH1A1LMNAHSD17B10
Ethane SCHEMBL28049845 0.87 NPSR1 (0.63) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL27544153 0.87 NPSR1 (0.48) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL29407310 0.85 NPSR1 (0.47) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11146145 0.85 NPSR1 (0.55) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11146171 0.85 NPSR1 (0.55) NPSR1HCAR2ALDH1A1LMNAHSD17B10

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-6346650-B1 ALKALI METAL (METH)ACRYLATE REACTED WITH CHLOROFORMATE IN AQUEOUS MEDIUM ATOFINA (FR) 2002-02-12 US disclosed