SCHEMBL17655651

SCHEMBL17655651

COc1c(CO)ccc(C)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 6/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ PDCD1 Q15116 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ PDE4A P27815 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4C Q08493 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ SI P14410 1/20 0.32
▸ MGAM2 Q2M2H8 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ AKR1B1 P15121 1/20 0.31

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
SCHEMBL8132962 0.79 MAPT (0.36) MAPTALDH1A1KDM4EPDCD1CD274
SCHEMBL17616016 0.78 CA2 (0.39) MAPTALDH1A1KDM4EPDCD1CD274
SCHEMBL2361510 0.77 ALDH1A1 (0.35) ALDH1A1PDCD1CD274PDE4ALMNA
SCHEMBL14405259 0.77 ALDH1A1 (0.36) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL16077689 0.75 MAPT (0.44) MAPTALDH1A1KDM4ELMNATDP1
SCHEMBL11129066 0.74 MAPT (0.38) MAPTALDH1A1KDM4EPDCD1CD274
SCHEMBL13027122 0.74 PDCD1 (0.36) MAPTALDH1A1KDM4EPDCD1CD274
SCHEMBL698659 0.73 KDM1A (0.46) KDM4EPDCD1CD274PDE4APDE4B
SCHEMBL9410517 0.73 ALDH1A1 (0.45) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4897798 0.72 PDCD1 (0.41) MAPTALDH1A1KDM4EPDCD1CD274

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-2402349-B1 TRICYCLIC PYRAZOLOPYRIMIDINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2016-04-06 — — EP disclosed
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