SCHEMBL29686125

SCHEMBL29686125

O=C(c1ccccc1C1(O)CCCCC1)c1ccccc1C1(O)CCCCC1.c1ccc([I+]c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.38
HDAC4 P56524 5/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
P2RX7 Q99572 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
ERCC1 P07992 1/20 0.32
ERCC4 Q92889 1/20 0.32
CHRM3 P20309 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM5B Q9UGL1 1/20 0.32

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
SCHEMBL29359244 0.89 AKR1C1 (0.41) AKR1C1HDAC4MEN1KMT2AP2RX7
SCHEMBL27281 0.89 AKR1C1 (0.41) AKR1C1HDAC4MEN1KMT2AP2RX7
SCHEMBL29780569 0.87 AKR1C1 (0.40) AKR1C1HDAC4MEN1KMT2AP2RX7
Iodide SCHEMBL30367011 0.87 AKR1C1 (0.40) AKR1C1HDAC4MEN1KMT2AP2RX7
Benzophenone SCHEMBL3626603 0.84 ALDH1A1 (0.45) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL323272 0.83 AKR1C3 (0.47) AKR1C1HDAC4SMN1; SMN2TDP1GAA
Acrylic Acid SCHEMBL18580799 0.82 AKR1C1 (0.38) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL20573606 0.79 HDAC4 (0.38) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL27556884 0.78 KMT2A (0.39) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL16286464 0.76 SRC (0.34) AKR1C1HDAC4MEN1KMT2AP2RX7

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-114667021-A Shell, manufacturing method of shell and electronic equipment OPPO广东移动通信有限公司 2022-06-24 CN disclosed