SCHEMBL27316652

SCHEMBL27316652

CC(C)CC(C)C(=O)O.CC(C)C[C@@H]1NCNC1=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
CPA1 P15085 1/20 0.32
GHSR Q92847 4/20 0.31
MME P08473 1/20 0.31
TSHR P16473 1/20 0.31
ENPEP Q07075 2/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RNPEP Q9H4A4 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL27292983 0.82 HDAC8 (0.45) GHSRMMERNPEP
SCHEMBL27329564 0.82 FOLH1 (0.35) FOLH1NAALAD2CPA1TSHRENPEP
SCHEMBL27292981 0.69 NAALAD2 (0.37) FOLH1NAALAD2CPA1ENPEPALDH1A1
SCHEMBL4662945 0.69
SCHEMBL275848 0.69
SCHEMBL2601836 0.69
SCHEMBL10153215 0.69 PRCP (0.41) GHSRTSHRSMN1; SMN2
SCHEMBL1956550 0.69 PRCP (0.41) GHSRTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL27327049 0.68 NAALAD2 (0.36) FOLH1NAALAD2CPA1ENPEPALDH1A1
Phosphine SCHEMBL27416822 0.67 RNPEP (0.52) FOLH1NAALAD2CPA1ENPEPALDH1A1

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-1036204-A some compounds ISF SPA (IT) 1989-10-11 CN disclosed