SCHEMBL21180879

SCHEMBL21180879

COC(=O)c1ccccc1CCC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 6/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 3/20 0.46
PPM1D O15297 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HIF1A Q16665 1/20 0.43
CFTR P13569 1/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL23023052 0.82 HIF1A (0.47) ALDH1A1LMNAKDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL23004994 0.81 HIF1A (0.46) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL24257656 0.81 CA12 (0.48) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL21180886 0.81 ABL1 (0.48) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL10360804 0.81 ALDH1A1 (0.77) ALDH1A1LMNAKDM4EHSD17B10TSHR
SCHEMBL30096071 0.80 ALDH1A1 (0.48) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL7987100 0.80 LMNA (0.51) ALDH1A1LMNATSHRHIF1ASCN1A
SCHEMBL15626640 0.80 PPM1D (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL19515023 0.80 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EHPGDHSD17B10
SCHEMBL6175349 0.79 TP53 (0.43) ALDH1A1HPGDHSD17B10KMT2AMEN1

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-3221304-B1 NOVEL CARBOXYLIC ACID COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 LILLY CO ELI (US) 2019-07-24 EP disclosed