SCHEMBL26558294

SCHEMBL26558294

CCCCC(OC=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.41
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSL P07711 3/20 0.38
CTSB P07858 3/20 0.38
CTSH P09668 2/20 0.38
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
SLC15A1 P46059 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
FDPS P14324 1/20 0.31
DNM1 Q05193 1/20 0.31

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
SCHEMBL3024808 0.94 ADH1B (0.42) CTSKTSHRSMN1; SMN2CTSLCTSB
SCHEMBL16021397 0.86 CTSK (0.33) CTSKCTSLCTSBCTSH
SCHEMBL3034932 0.83 TSHR (0.42) CTSKTSHRSMN1; SMN2CTSLCTSB
SCHEMBL28202884 0.83 TSHR (0.40) CTSKTSHRSMN1; SMN2ADH1BADH1C
SCHEMBL10032162 0.79 PTPN1 (0.42) CTSKTSHRSMN1; SMN2CTSLCTSB
SCHEMBL3038658 0.79 TSHR (0.42) CTSKTSHRSMN1; SMN2CTSLCTSB
SCHEMBL93127 0.77
SCHEMBL3040261 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL16155312 0.77
SCHEMBL271738 0.77

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-20230335758-A1 REDOX FLOW BATTERY THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2023-10-19 US disclosed