SCHEMBL28601736

SCHEMBL28601736

C=CC(=O)OC(CC)CCCCCOc1cc(C#N)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.41
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
PTPN11 Q06124 1/20 0.35
PKM P14618 1/20 0.35
PTGER1 P34995 1/20 0.35
HPGD P15428 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
PPARD Q03181 1/20 0.34
KCNA5 P22460 2/20 0.33
HTT P42858 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL7528255 0.96 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2PTGDR2GAA
SCHEMBL28601737 0.89 KMT2A (0.39) PTGDR2GAAKMT2AKDM4EALDH1A1
SCHEMBL7528252 0.85 PPARD (0.41) PTGDR2GAAKMT2AKDM4EALDH1A1
SCHEMBL7794901 0.83 CYP19A1 (0.46) CYP19A1CYP11B1CYP11B2PTGDR2KMT2A
SCHEMBL28604099 0.80 HDAC1 (0.49) KDM4EALDH1A1HPGDHTTHDAC1
SCHEMBL17162486 0.77 PTPN11 (0.46) KDM4EPTPN11THRATHRB
SCHEMBL1046902 0.76 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2PTGDR2KDM4E
SCHEMBL28337686 0.76 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2PTGDR2KDM4E
SCHEMBL5310305 0.76 CYP19A1 (0.57) CYP19A1CYP11B1CYP11B2PTGDR2KDM4E
SCHEMBL28481945 0.76 CYP19A1 (0.52) CYP19A1CYP11B1CYP11B2PTGDR2KMT2A

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