SCHEMBL9839684

SCHEMBL9839684

C=C(C)C(=O)OC(CC)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
RECQL P46063 1/20 0.34
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
FKBP1A P62942 1/20 0.33

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
SCHEMBL10349192 0.84 TSHR (0.34) ALDH1A1LMNAMAPTHPGDNPSR1
Fluoride SCHEMBL7527631 0.79 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL93248 0.79 ALDH1A1 (0.38) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL9838166 0.78 ALDH1A1 (0.42) ALDH1A1KMT2ALMNAMAPTHPGD
Ethane SCHEMBL28247372 0.78 ALDH1A1 (0.37) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL15173697 0.78 ALDH1A1 (0.44) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL21925350 0.76 TSHR (0.45) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL28057644 0.75 ALDH1A1 (0.36) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL27815774 0.73 ALDH1A1 (0.33) ALDH1A1KMT2ALMNAMAPTHPGD
SCHEMBL15173698 0.73 HCAR2 (0.42) ALDH1A1KMT2ALMNAMAPTHPGD

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-4985328-A Metal Complex Charge Control Agents HITACHI CHEMICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0360617-A2 Dry toner, dry developer and process for forming images Hitachi Chemical Co., Ltd. (JP) 1990-03-28 EP disclosed