SCHEMBL21887554

SCHEMBL21887554

CCCCC[C@@H](C)NCCC

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
OPRM1 P35372 1/20 0.44
ADRB2 P07550 8/20 0.43
SIGMAR1 Q99720 1/20 0.41
DNM1 Q05193 2/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
CA1 P00915 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL11225078 1.00 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9289282 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28277183 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28277187 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9205136 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL25072163 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL9214863 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28277199 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28275805 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL28277181 0.98 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7

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-3632694-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, RESIN COMPOSITION FOR PRODUCING LITHOGRAPHIC PRINTING PLATE PRECURSOR, AND PRODUCTION METHOD FOR LITHOGRAPHIC PRINTING PLATE FUJIFILM Corporation (JP) 2020-04-08 EP disclosed