SCHEMBL29089151

SCHEMBL29089151

Oc1ccc(C2C(c3ccccc3)CCCC2c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ ESR2 Q92731 10/20 0.46
▸ ESR1 P03372 9/20 0.46
▸ SLC18A3 Q16572 1/20 0.41
▸ DEGS1 O15121 1/20 0.41
▸ FABP7 O15540 2/20 0.41
▸ FABP3 P05413 2/20 0.41
▸ FABP5 Q01469 2/20 0.41
▸ KDM1A O60341 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL31603952 0.88 MEN1 (0.48) MEN1KMT2ASLC18A3FABP7FABP3
SCHEMBL11865942 0.81 ESR2 (0.52) MEN1KMT2AESR2ESR1KDM1A
SCHEMBL25097790 0.79 CA3 (0.53) MEN1KMT2AESR2ESR1CYP3A4
SCHEMBL21399753 0.78 SLC18A3 (0.54) MEN1KMT2ASLC18A3FABP7FABP3
SCHEMBL11483100 0.78 SLC18A3 (0.46) MEN1KMT2ASLC18A3FABP7FABP3
SCHEMBL9134151 0.77 KDM1A (0.52) ESR2ESR1DEGS1KDM1ACYP3A4
SCHEMBL9134150 0.77 KDM1A (0.52) ESR2ESR1DEGS1KDM1ACYP3A4
SCHEMBL1983886 0.77 KDM1A (0.50) MEN1KMT2AESR2ESR1KDM1A
SCHEMBL13970072 0.76 ESR2 (0.44) MEN1KMT2AESR2ESR1
SCHEMBL29089152 0.76 MEN1 (0.71) MEN1KMT2AESR2ESR1SLC18A3

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-116899587-A Supported PdPt-M ternary metal catalyst and preparation method and application thereof 南京理工大学 2023-10-20 — — CN disclosed
Send feedback