SCHEMBL30670586

SCHEMBL30670586

C=C[C@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](OC(C)=O)C1OCc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PMP22 Q01453 1/20 0.30
HBB P68871 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TK2 O00142 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
SCHEMBL25401212 1.00 TDP1 (0.31) TDP1TSHRLMNAMAPTPMP22
SCHEMBL25399246 0.90
SCHEMBL25399881 0.90 TSHR (0.36) TSHRLMNAMAPTPMP22HBB
SCHEMBL25400267 0.89 TSHR (0.34) TSHRLMNAMAPTPMP22HBB
SCHEMBL25400259 0.89 TSHR (0.34) TSHRLMNAMAPTPMP22HBB
SCHEMBL31572672 0.88 TSHR (0.31) TSHRLMNAMAPTPMP22HBB
SCHEMBL26601006 0.82 TYMS (0.31) TDP1TSHRLMNAMAPTPMP22
SCHEMBL25399189 0.81 TYMS (0.34) LMNAMAPTSMN1; SMN2
SCHEMBL2310943 0.80 CYP2D6 (0.33) LMNASMN1; SMN2
SCHEMBL30560917 0.80 CYP2D6 (0.33) LMNASMN1; SMN2

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
WO-2023178133-A9 COMPOUNDS AND METHODS FOR TREATING DISEASE ROME THERAPEUTICS, INC. (US) 2023-10-26 WO disclosed