SCHEMBL30683042

SCHEMBL30683042

CCOC(=O)COC[C@H](NC(=O)OC(C)(C)C)c1ccc(C#C[Si](C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TP53 P04637 2/20 0.39
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPRB P23467 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CTSS P25774 2/20 0.35
CTSK P43235 1/20 0.35
MAPT P10636 2/20 0.34
ACACB O00763 2/20 0.34
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
AGTR1 P30556 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL26932080 1.00 TSHR (0.42) TSHRTP53HTTCYP1A2CYP2C9
SCHEMBL26932275 0.86 TSHR (0.40) TSHRTP53HTTCYP1A2CYP2C9
SCHEMBL30683104 0.83 PTPN11 (0.37) TSHRTP53HTTPTPRBALDH1A1
SCHEMBL30200680 0.83 PTPN11 (0.37) TSHRTP53HTTPTPRBALDH1A1
SCHEMBL25602514 0.83 FAAH (0.40) ALDH1A1CTSSCTSKACACBLMNA
SCHEMBL17844760 0.83 TSHR (0.48) TSHRTP53HTTCYP1A2CYP2C9
SCHEMBL21458419 0.82 MAPT (0.47) TSHRTP53HTTCYP1A2CYP2C9
SCHEMBL21458417 0.82 MAPT (0.47) TSHRTP53HTTCYP1A2CYP2C9
SCHEMBL12733028 0.81 SMN1; SMN2 (0.46) TSHRPTPN1ALDH1A1ACACB
SCHEMBL24838329 0.81 CTSS (0.35) TSHRTP53HTTALDH1A1CTSS

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-2023239645-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed