SCHEMBL30738545

SCHEMBL30738545

CCCCCCC(=O)Nc1cccc(C(N)=O)c1CCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.53
SOAT1 P35610 2/20 0.52
EP300 Q09472 1/20 0.48
HDAC3 O15379 4/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC2 Q92769 2/20 0.47
NCOR2 Q9Y618 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
TSHR P16473 2/20 0.44
P2RX7 Q99572 1/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL31176327 0.86 BTK (0.45) CETPSOAT1HDAC6KMT2AALDH1A1
SCHEMBL9504171 0.83 CETP (0.58) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL30276310 0.82 CYP2C19 (0.47) HDAC6TSHRKMT2AALDH1A1MEN1
SCHEMBL30276290 0.82 CYP2C19 (0.47) HDAC6TSHRKMT2AALDH1A1MEN1
SCHEMBL20367701 0.81 HDAC1 (0.54) CETPSOAT1HDAC3HDAC1HDAC2
SCHEMBL5010196 0.81 CETP (0.63) CETPSOAT1TSHRKMT2AALDH1A1
SCHEMBL5295250 0.80 CETP (0.53) CETPSOAT1EP300HDAC3HDAC1
SCHEMBL30102565 0.79 CETP (0.54) CETPSOAT1EP300TSHRKMT2A
SCHEMBL28926989 0.79 CETP (0.57) CETPSOAT1TSHRKMT2AALDH1A1
SCHEMBL30091845 0.79 CETP (0.52) CETPSOAT1EP300HDAC3HDAC1

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-114890990-B Compound and application thereof in preparation of NAMPT protein autophagy degradation agent 中国人民解放军海军军医大学 2024-01-16 CN disclosed