SCHEMBL29470239

SCHEMBL29470239

CO[C@H]1CC[C@H]2[C@@H]3CCc4c(ccc(O)c4-c4c(O)ccc5c4CC[C@@H]4[C@@H]5CC[C@]5(C)[C@@H](OC)CC[C@@H]45)[C@H]3CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.61
ESR2 Q92731 5/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPK1 P28482 3/20 0.61
LMNA P02545 3/20 0.61
MAPT P10636 3/20 0.61
GAA P10253 2/20 0.61
KDM4E B2RXH2 1/20 0.61
G6PD P11413 1/20 0.61
PKM P14618 1/20 0.61
MPI P34949 1/20 0.61
CYP19A1 P11511 3/20 0.57
STS P08842 2/20 0.53
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
CA1 P00915 1/20 0.52
CYP3A4 P08684 4/20 0.51
ALOX15 P16050 2/20 0.51
BRCA1 P38398 1/20 0.51

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
SCHEMBL14305721 0.80 LMNA (0.76) ESR1ESR2MEN1KMT2AMAPK1
SCHEMBL18658846 0.80 LMNA (0.76) ESR1ESR2MEN1KMT2AMAPK1
SCHEMBL7530939 0.80 LMNA (0.76) ESR1ESR2MEN1KMT2AMAPK1
SCHEMBL14951243 0.80 LMNA (0.76) ESR1ESR2MEN1KMT2AMAPK1
SCHEMBL27369500 0.80 LMNA (0.76) ESR1ESR2MEN1KMT2AMAPK1
SCHEMBL17525955 0.79 ESR1 (0.47) ESR1ESR2MEN1KMT2AMAPK1
SCHEMBL17525951 0.78 CYP19A1 (0.53) ESR1ESR2MEN1KMT2AMAPK1
SCHEMBL17525983 0.76 MAPT (0.44) ESR1ESR2MEN1KMT2AMAPK1
SCHEMBL2596534 0.76 ESR1 (0.77) ESR1ESR2MEN1KMT2AMAPK1
SCHEMBL1048371 0.76 ESR1 (0.77) ESR1ESR2MEN1KMT2AMAPK1

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-114654097-A Molecular beam epitaxy-based in-situ laser interference lithography method 苏州大学 2022-06-24 CN disclosed
CN-108698640-B Electric power steering apparatus and method for reducing torque ripple thereof 蒂森克虏伯股份公司 2022-03-22 CN disclosed