SCHEMBL28836244

SCHEMBL28836244

NC(=O)CC[C@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
FOLH1 Q04609 5/20 0.41
CA2 P00918 5/20 0.40
CA1 P00915 4/20 0.40
MME P08473 1/20 0.39
ECE1 P42892 1/20 0.39
RIMKLA Q8IXN7 1/20 0.39
NAALAD2 Q9Y3Q0 1/20 0.39
ALOX15 P16050 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35

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
SCHEMBL28836247 1.00 KMT2A (0.42) KMT2AFOLH1CA2CA1MME
SCHEMBL16867534 0.88 FOLH1 (0.53) FOLH1RIMKLANAALAD2
SCHEMBL28836292 0.84 ECE1 (0.41) KMT2ACA2CA1MMEECE1
SCHEMBL28836295 0.84 ECE1 (0.41) KMT2ACA2CA1MMEECE1
SCHEMBL12986944 0.83 KMT2A (0.44) KMT2AFOLH1CA2CA1MME
SCHEMBL30355296 0.82 FOLH1 (0.44) FOLH1CA2CA1ECE1
SCHEMBL8572501 0.81 FOLH1 (0.50) FOLH1CA2CA1ECE1MMP2
SCHEMBL8572497 0.81 FOLH1 (0.50) FOLH1CA2CA1ECE1MMP2
Hydrochloric Acid SCHEMBL22283120 0.79 FOLH1 (0.49) FOLH1CA2CA1ECE1
SCHEMBL28836296 0.79 TGFBR1 (0.47) KMT2ACA2CA1MME

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
CN-115053184-A Composition for forming EUV resist underlayer film 日产化学株式会社 2022-09-13 CN disclosed