SCHEMBL30735767

SCHEMBL30735767

[2H]c1c(-c2ccc(C(C)(C)C)cc2)ccc2c1C1(CC2)CCc2ccc(-c3ccc(C(C)(C)C)cc3)c([2H])c21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.40
HTR1D P28221 1/20 0.32
ADRA1A P35348 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
XDH P47989 1/20 0.32
TSHR P16473 1/20 0.31
FGF23 Q9GZV9 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 1/20 0.31
TYR P14679 1/20 0.31
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD11B1 P28845 1/20 0.30
SLC6A2 P23975 1/20 0.30

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
SCHEMBL30735881 0.81 SIGMAR1 (0.33)
SCHEMBL30735764 0.80 ALDH1A1 (0.33) TSHRNPC1RAB9ASLC6A2
SCHEMBL30735672 0.80 ALDH1A1 (0.33) TSHRNPC1RAB9ASLC6A2
SCHEMBL30735913 0.77 CYP3A4 (0.42) NPC1RAB9AHPGDSLC6A2
SCHEMBL30735648 0.75 RXRA (0.33)
SCHEMBL19111566 0.70 DHODH (0.38) KIF11
SCHEMBL30735516 0.70 ESR1 (0.40) NISCHNPC1RAB9ASLC6A2
SCHEMBL30735679 0.70 SIGMAR1 (0.33)
SCHEMBL3423876 0.67 KIF11 (0.70) KIF11HTR1DADRA1ANISCHXDH
SCHEMBL26915 0.67 KIF11 (0.70) KIF11HTR1DADRA1ANISCHXDH

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-117430636-A Chiral spiro phosphoramide compound and preparation method and application thereof 南开大学 2024-01-23 CN disclosed