SCHEMBL29565255

SCHEMBL29565255

CC(C)=CCOc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1C(=O)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.50
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAOB P27338 5/20 0.41
MAOA P21397 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
BRD4 O60885 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
MAPT P10636 2/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL25021784 0.88 MEN1 (0.53) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL29565658 0.82 MEN1 (0.49) MEN1KMT2AMAOBMAPTLMNA
SCHEMBL23422279 0.82 MEN1 (0.49) MEN1KMT2AMAOBMAPTLMNA
SCHEMBL31031177 0.79 KMT2A (0.47) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL11739144 0.76 MAOB (0.59) MEN1KMT2AMAOBCASP3SENP8
SCHEMBL26455213 0.74 MAOB (0.54) MEN1KMT2AMAOBCASP3SENP8
SCHEMBL11739156 0.74 MAOB (0.59) MEN1KMT2AMAOBNPC1RAB9A
SCHEMBL31031144 0.73 S1PR5 (0.42) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL2951462 0.73 MEN1 (0.65) MEN1KMT2AMAOBLMNASLC6A2
SCHEMBL658101 0.72 MAOB (0.61) MEN1KMT2AMAOBCASP3SENP8

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-114539044-A Dehydrated icaritin intermediate compound 鲁南制药集团股份有限公司 2022-05-27 CN disclosed