SCHEMBL8418953

SCHEMBL8418953

O=C(COc1ccccc1OCCCCOc1ccccc1)Nc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ POLB P06746 4/20 0.58
▸ G6PD P11413 1/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CASP6 P55212 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.49
▸ DVL1 O14640 1/20 0.48
▸ TRPM4 Q8TD43 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ CASP3 P42574 1/20 0.48

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
SCHEMBL8419001 0.86 KDM4E (0.57) ALDH1A1HSD17B10KDM4EPOLBCASP6
SCHEMBL8422575 0.84 SMN1; SMN2 (0.50) ALDH1A1HSD17B10KDM4EPOLBCASP6
SCHEMBL8420658 0.84 SMN1; SMN2 (0.52) ALDH1A1HSD17B10KDM4EPOLBCASP6
SCHEMBL8768524 0.82 ALDH1A1 (0.59) ALDH1A1KDM4EL3MBTL1SMN1; SMN2GAA
SCHEMBL8420661 0.80 HTT (0.55) POLBSMN1; SMN2HCAR2HTTRAB9A
SCHEMBL8422577 0.79 HTT (0.54) KDM4EPOLBSMN1; SMN2GAAHCAR2
SCHEMBL3556661 0.78 L3MBTL1 (0.65) ALDH1A1HSD17B10POLBL3MBTL1SMN1; SMN2
SCHEMBL15648677 0.75 MEN1 (0.80) ALDH1A1HSD17B10KDM4EPOLBL3MBTL1
SCHEMBL14075194 0.75 DVL1 (0.78) ALDH1A1HSD17B10KDM4EL3MBTL1MEN1
SCHEMBL6032429 0.74 HCAR2 (0.81) ALDH1A1HSD17B10KDM4EPOLBL3MBTL1

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-5872280-A RESPIRATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1999-02-16 — — US disclosed
EP-0791576-A2 Leukotriene antagonistic benzoic acid derivatives BAYER AG (DE) 1997-08-27 — — EP disclosed
Send feedback