SCHEMBL19901627

SCHEMBL19901627

CC(C)=CCC/C(C)=C/CC/C(C)=C/Cn1c(=O)c(F)cn(C2OC(CO)C3OC(C)(C)OC32)c1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PI4KA P42356 1/20 0.35
▸ PI4K2B Q8TCG2 1/20 0.35
▸ PI4K2A Q9BTU6 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ LSS P48449 3/20 0.32
▸ PRKCG P05129 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ PRKCA P17252 1/20 0.32

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
SCHEMBL17177287 1.00 ALDH1A1 (0.36) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL17157276 1.00 ALDH1A1 (0.36) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL17173379 1.00 ALDH1A1 (0.36) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL17157275 1.00 ALDH1A1 (0.36) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL19901607 1.00 ALDH1A1 (0.36) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL17157274 1.00 ALDH1A1 (0.36) ALDH1A1LMNATDP1PI4KAPI4K2B
SCHEMBL17173383 0.91 PLA2G2A (0.33) PRKCGPTPN1
SCHEMBL22179404 0.91 PLA2G2A (0.33) PRKCGPTPN1
SCHEMBL17157238 0.91 PLA2G2A (0.33) PRKCGPTPN1
SCHEMBL17037328 0.90 ALDH1A1 (0.37) ALDH1A1LMNATDP1PI4KAPI4K2B

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-9902752-B2 5-fluorouracil derivatives B. BRAUN MELSUNGEN AG (DE) 2018-02-27 — — US disclosed
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