SCHEMBL28601737

SCHEMBL28601737

C=CC(=O)OC(CC)CCCCCOc1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 10/20 0.39
ALDH1A1 P00352 5/20 0.39
PPARD Q03181 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
PTPN11 Q06124 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
POLB P06746 1/20 0.35
AR P10275 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7528252 0.96 PPARD (0.41) KMT2AGAAKDM4EALDH1A1PPARD
SCHEMBL28601736 0.89 CYP19A1 (0.45) KMT2AGAAKDM4EALDH1A1PPARD
SCHEMBL28368937 0.86 KDM4E (0.38) KMT2AGAAKDM4EALDH1A1PPARD
SCHEMBL28604099 0.86 HDAC1 (0.49) KDM4EALDH1A1HTTHDAC1HDAC2
SCHEMBL7528255 0.85 CYP19A1 (0.46) KMT2AGAAKDM4EALDH1A1PPARD
SCHEMBL8083196 0.82 KMT2A (0.46) KMT2AGAAKDM4EALDH1A1MEN1
SCHEMBL7794898 0.82 PPARD (0.41) KMT2AGAAKDM4EALDH1A1PPARD
SCHEMBL2036315 0.82 RXRA (0.46) KMT2AGAAKDM4EALDH1A1PKM
SCHEMBL8939321 0.82 PPARD (0.37) KMT2AGAAKDM4EALDH1A1PPARD
SCHEMBL27662670 0.77 KDM4E (0.47) KMT2AKDM4EALDH1A1

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-112936849-A Preparation method and application of crystalline dynamic pattern based on photocuring molding 浙江大学杭州国际科创中心 2021-06-11 CN claimed