SCHEMBL30959565

SCHEMBL30959565

COCOC[C@]1(COCc2ccccc2)CC1(F)F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TACR1 P25103 7/20 0.39
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCL2L11 O43521 1/20 0.32
MCL1 Q07820 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
SLC6A4 P31645 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL24837580 0.81 TSHR (0.47) TSHRTACR1SLC6A4
SCHEMBL25212600 0.81 TSHR (0.47) TSHRTACR1SLC6A4
SCHEMBL31450118 0.81 TSHR (0.47) TSHRTACR1SLC6A4
SCHEMBL25210438 0.81 TSHR (0.47) TSHRTACR1SLC6A4
SCHEMBL29345920 0.80 TSHR (0.45) TSHRTACR1MMP2MMP3MMP9
SCHEMBL27153702 0.79 TSHR (0.36) TSHRTACR1L3MBTL1SLC6A4IDO1
SCHEMBL27153701 0.79 TSHR (0.36) TSHRTACR1L3MBTL1SLC6A4IDO1
SCHEMBL25240765 0.79 TSHR (0.41) TSHRTACR1SLC6A4
SCHEMBL31387728 0.79 TSHR (0.41) TSHRTACR1SLC6A4IDO1
SCHEMBL25240763 0.79 TSHR (0.41) TSHRTACR1SLC6A4

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
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 EP disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 WO disclosed