SCHEMBL7911558

SCHEMBL7911558

COCOc1cccc(Cn2nc(C(=O)O)c3c2-c2ccc(OCc4cncnc4)cc2CC3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ FFAR1 O14842 1/20 0.38
▸ FAAH O00519 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ PIK3R2 O00459 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ PIK3R5 Q8WYR1 1/20 0.36
▸ PIK3R3 Q92569 1/20 0.36
▸ CCNA2 P20248 2/20 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
SCHEMBL7916986 0.94 ALDH1A1 (0.46) ALDH1A1GAAPKMFAAHMGLL
SCHEMBL7910547 0.93 HSD17B10 (0.38) ALDH1A1GAAPKMFFAR1FAAH
SCHEMBL7903219 0.90 LMNA (0.38) ALDH1A1GAAPKMLMNASMN1; SMN2
SCHEMBL7916990 0.90 LMNA (0.41) LMNASMN1; SMN2NPSR1KDM4ETSHR
SCHEMBL7910595 0.90 L3MBTL1 (0.35) ALDH1A1GAAPKMFAAHMGLL
Hydrochloric Acid SCHEMBL7911590 0.88 ITGB3 (0.37) MGLLLMNASMN1; SMN2NPSR1KDM4E
SCHEMBL7910597 0.88 ALDH1A1 (0.36) ALDH1A1GAAPKMFAAHMGLL
SCHEMBL7911574 0.87 LMNA (0.43) ALDH1A1GAAPKMFAAHMGLL
SCHEMBL7911545 0.85 CCNA2 (0.38) ALDH1A1FAAHMGLLLMNASMN1; SMN2
SCHEMBL7903245 0.85 SMN1; SMN2 (0.44) ALDH1A1FAAHLMNASMN1; SMN2NPSR1

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-6291485-B1 TREATMENT OF POST-PTCA RESTENOSIS TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-09-18 — — US disclosed
EP-1002797-A1 4,5-DIHYDRO- 1H]-BENZ g]INDAZOLE-3-CARBOXYLIC ACID DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2000-05-24 — — EP disclosed
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