SCHEMBL7743977

SCHEMBL7743977

Cc1ccc(-c2ccccc2C(=O)NCc2ccc(C(=O)Nc3ccccc3OCCCC=CC(=O)O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ MTTP P55157 3/20 0.42
▸ AKR1C4 P17516 3/20 0.41
▸ AKR1C3 P42330 3/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL8817925 0.85 KMT2A (0.45) KMT2AALDH1A1LMNAHTTHPGD
SCHEMBL8814617 0.80 CHRNB2 (0.47) ALDH1A1LMNAHTTCHRNB2CHRNB4
SCHEMBL7751057 0.78 AVPR2 (0.51) KMT2ALMNAMTTPPPARG
SCHEMBL8614650 0.77 KMT2A (0.58) KMT2AALDH1A1LMNAHPGDCHRNB2
SCHEMBL7515855 0.77 KMT2A (0.50) KMT2AALDH1A1LMNAHPGDMTTP
SCHEMBL7378365 0.75 PPARD (0.45) KMT2AALDH1A1LMNACHRNB2CHRNB4
SCHEMBL7378362 0.75 PPARD (0.45) KMT2AALDH1A1LMNACHRNB2CHRNB4
SCHEMBL8816842 0.74 KMT2A (0.52) KMT2AALDH1A1LMNAHPGDCHRNB2
SCHEMBL8816782 0.72 CHRNB2 (0.54) KMT2AALDH1A1LMNAHTTHPGD
SCHEMBL8817468 0.72 KMT2A (0.52) KMT2AALDH1A1LMNAHTTHPGD

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-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 — — US disclosed
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