SCHEMBL28873178

SCHEMBL28873178

CCOC(=O)CC(=O)CCc1ccccc1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL7687145 0.88 CYP4F2 (0.67) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL30753435 0.88 LMNA (0.48) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL21715380 0.88 LMNA (0.48) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL29014549 0.85 TSHR (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2TSHR
SCHEMBL3941285 0.85 HPGD (0.50) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL12602245 0.84 CYP4F2 (0.56) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL7331644 0.83 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL30800373 0.83 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL21715451 0.82 CYP4F2 (0.41) CYP4F2CYP4A11KMT2AMEN1ALDH1A1
SCHEMBL30753448 0.82 CYP4F2 (0.41) CYP4F2CYP4A11KMT2AMEN1ALDH1A1

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-110177780-B Pyrimidine compounds containing acidic groups 阿普罗斯治疗公司 2022-11-01 CN disclosed