Sugi Predict

Sugi Predict / Compounds / SCHEMBL22845579

SCHEMBL22845579

SCHEMBL22845579

CCCCCCCNC(=O)CNC(C)C

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP2 P42575 1/20 0.58
▸ EPHX1 P07099 8/20 0.58
▸ NAAA Q02083 1/20 0.55
▸ FAAH O00519 3/20 0.50
▸ EPHX2 P34913 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL24259733 0.92 EPHX1 (0.47) CASP2EPHX1NAAAFAAHMEN1
SCHEMBL25443810 0.90 KMT2A (0.50) CASP2EPHX1NAAAFAAHMEN1
SCHEMBL25443809 0.86 KMT2A (0.44) CASP2EPHX1NAAAMEN1KMT2A
SCHEMBL22306106 0.85 ALDH1A1 (0.42) CASP2EPHX1NAAAFAAHMEN1
SCHEMBL18736128 0.84 MCL1 (0.45) CASP2EPHX1FAAHMEN1KMT2A
SCHEMBL25443805 0.84 ALDH1A1 (0.41) CASP2EPHX1NAAAMEN1KMT2A
SCHEMBL21227615 0.84 ALDH1A1 (0.41) CASP2EPHX1NAAAMEN1KMT2A
SCHEMBL25443804 0.84 ALDH1A1 (0.41) CASP2EPHX1NAAAMEN1KMT2A
SCHEMBL25443803 0.84 ALDH1A1 (0.41) CASP2EPHX1NAAAMEN1KMT2A
SCHEMBL19880208 0.84 CASP2 (0.67) CASP2EPHX1NAAAFAAHEPHX2

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
WO-2020263935-A1 HCK DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 — — WO disclosed