SCHEMBL31056014

SCHEMBL31056014

CC(=O)NC1CCc2cc(NC(=O)OCc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.51
KCNA5 P22460 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 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
SCHEMBL31055934 0.88 NPY1R (0.50) MGLLKCNA5RAB9ANPC1ALDH1A1
SCHEMBL31730541 0.88 NPY1R (0.50) MGLLKCNA5RAB9ANPC1ALDH1A1
SCHEMBL31730737 0.87 KCNA5 (0.43) MGLLKCNA5RAB9ANPC1ALDH1A1
SCHEMBL31752513 0.80 CA12 (0.59) RAB9AALDH1A1TP53MAPTTSHR
SCHEMBL31056397 0.79 CA12 (0.52) RAB9ANPC1TP53TSHRCA1
SCHEMBL31753154 0.79 CA12 (0.52) RAB9ANPC1TP53TSHRCA1
SCHEMBL27812893 0.79 LIPG (0.49) ALDH1A1TSHRCA1CA2CA12
SCHEMBL31730645 0.78 DPP4 (0.43) MGLLKCNA5RAB9ANPC1ALDH1A1
SCHEMBL31730606 0.78 LMNA (0.46) ALDH1A1MAPTSMN1; SMN2
SCHEMBL1590831 0.78 CA1 (0.48) ALDH1A1TSHRCA1CA2ACHE

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed