SCHEMBL10916000

SCHEMBL10916000

CC(C)(C)OC(=O)CCCn1ccnc1F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ FPR2 P25090 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ DUT P33316 1/20 0.33
▸ ARG1 P05089 1/20 0.33
▸ OPRD1 P41143 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ TNF P01375 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ HDAC6 Q9UBN7 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
SCHEMBL10916148 0.82 FPR2 (0.46) FPR2ALDH1A1KMT2AOPRD1OPRK1
SCHEMBL10986597 0.82 TNF (0.48) TNF
SCHEMBL31584352 0.80 FPR2 (0.41) FPR2POLBDUTTNF
SCHEMBL31584367 0.80 TNF (0.37) FPR2ALDH1A1DUTKDM4ETNF
SCHEMBL2633151 0.75 KMT2A (0.50) FPR2SMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL4235144 0.72 SMN1; SMN2 (0.37) FPR2SMN1; SMN2ALDH1A1KMT2AOPRD1
SCHEMBL2627811 0.72 SMN1; SMN2 (0.63) FPR2SMN1; SMN2
SCHEMBL25395276 0.69 CNR2 (0.37) ALDH1A1KMT2AHDAC8DUTTNF
SCHEMBL23745443 0.69 FPR2 (0.39) FPR2SMN1; SMN2ALDH1A1OPRD1OPRK1
SCHEMBL15335292 0.69 ALPL (0.47) FPR2SMN1; SMN2ALDH1A1POLBKMT2A

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
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 — — EP disclosed
US-4492692-A BACTERICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-01-08 — — US disclosed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 — — EP disclosed
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