SCHEMBL9299345

SCHEMBL9299345

CCOC(=O)Cn1ccn2nccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ POLB P06746 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ PIN1 Q13526 1/20 0.40
▸ PIN4 Q9Y237 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ NLRP3 Q96P20 1/20 0.39

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
SCHEMBL9300116 0.79 GRIN2B (0.41) —
SCHEMBL8684343 0.76 HTT (0.57) ALDH1A1POLBMAPTSMN1; SMN2KDM4E
SCHEMBL368204 0.70 POLB (0.51) ALDH1A1POLBL3MBTL1MAPTSMN1; SMN2
SCHEMBL2823777 0.70 MAPK1 (0.51) ALDH1A1POLBSMN1; SMN2KDM4EGSK3A
SCHEMBL2237187 0.70 ALDH1A1 (0.50) ALDH1A1POLBL3MBTL1LMNAMAPT
Hydrochloric Acid SCHEMBL18939008 0.70 DGAT1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2KDM4E
SCHEMBL22234295 0.70 ESR1 (0.57) ALDH1A1POLBL3MBTL1SMN1; SMN2KDM4E
SCHEMBL1093819 0.69 GSK3A (0.44) ALDH1A1LMNASMN1; SMN2KDM4EGSK3A
SCHEMBL7206290 0.69 MAPK1 (0.49) ALDH1A1POLBSMN1; SMN2KDM4EGSK3A
SCHEMBL2851306 0.69 ALDH1A1 (0.55) ALDH1A1POLBL3MBTL1LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5302712-A Intermediates for cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-12 — — US disclosed
US-5215982-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 — — US disclosed
EP-0427248-A2 New cephem compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-15 — — EP disclosed
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