SCHEMBL8804336

SCHEMBL8804336

CCCCNC(C=O)CCCO

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.41
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH7 P40394 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
TRPA1 O75762 1/20 0.34
DDAH1 O94760 1/20 0.34
GAPDH P04406 1/20 0.34
MAPT P10636 1/20 0.34
ACHE P22303 6/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34

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
SCHEMBL10772954 0.88 LMNA (0.43) CTSKADH1BADH1CADH1AADH7
SCHEMBL3839686 0.84 ADH1B (0.43) CTSKADH1BADH1CADH1AADH7
SCHEMBL6395468 0.82 ADH1B (0.41) CTSKADH1BADH1CADH1AADH7
SCHEMBL28084862 0.79 ADH1B (0.45) CTSKADH1BADH1CADH1AADH7
SCHEMBL7671522 0.78 ADH1B (0.44) CTSKADH1BADH1CADH1AADH7
SCHEMBL15870345 0.77 EPHX1 (0.43) CTSKADH1BADH1CADH1AADH7
SCHEMBL27345133 0.77 CTSK (0.44) CTSKADH1BADH1CADH1AADH7
SCHEMBL14343155 0.75 GNAI3 (0.46) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL25137956 0.74 CTSK (0.47) CTSKADH1BADH1CADH1AADH7
SCHEMBL19812647 0.73 RRM1 (0.46) ADH1BADH1CADH1AADH7ALDH1A1

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-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed