SCHEMBL29149092

SCHEMBL29149092

COc1cc(C(=O)Oc2ccccc2C(C)=O)cc(OC)c1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 5/20 0.48
SLC6A3 Q01959 1/20 0.48
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 7/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SERPINE1 P05121 1/20 0.41

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
SCHEMBL31556012 0.86 SMN1; SMN2 (0.46) SMN1; SMN2TSHRKMT2ASLC6A3HPGD
SCHEMBL29149145 0.80 KMT2A (0.44) SMN1; SMN2TSHRKMT2AHPGDMAPT
SCHEMBL29149090 0.80 KMT2A (0.53) SMN1; SMN2TSHRKMT2ASLC6A3HPGD
SCHEMBL20323265 0.78 KMT2A (0.68) SMN1; SMN2KMT2ASLC6A3HPGDXBP1
SCHEMBL29149126 0.77 PTGS2 (0.48) SMN1; SMN2TSHRKMT2AHPGDLMNA
SCHEMBL7366574 0.76 TSHR (0.53) SMN1; SMN2TSHRKMT2ALMNAMAPT
SCHEMBL26490187 0.76 SLC6A3 (0.72) SMN1; SMN2TSHRKMT2ASLC6A3HPGD
SCHEMBL311792 0.76 KMT2A (0.62) KMT2ASLC6A3HPGDMAPTESR1
SCHEMBL1871578 0.74 KMT2A (0.52) SMN1; SMN2KMT2ASLC6A3HPGDLMNA
SCHEMBL917818 0.74 MAPT (0.50) TSHRKMT2AHPGDLMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122029153-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2026-05-12 CN disclosed
CN-117447402-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2024-01-26 CN disclosed