SCHEMBL29109096

SCHEMBL29109096

CCCCCCCCCCCCCCCCCCCCCCCO[Si](C)(C)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 2/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
CA1 P00915 8/20 0.35
CA2 P00918 8/20 0.35
CA9 Q16790 7/20 0.35
LPAR3 Q9UBY5 6/20 0.35
LPAR2 Q9HBW0 5/20 0.35
CA12 O43570 3/20 0.35
CA7 P43166 3/20 0.35
CA14 Q9ULX7 3/20 0.35
LPAR1 Q92633 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35

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
SCHEMBL27503718 0.90 ADRB2 (0.38) ALDH1A1TDP1TSHRCA1CA2
SCHEMBL8603989 0.87 LPAR3 (0.44) ALDH1A1TDP1THRBTSHRMEN1
SCHEMBL2564575 0.87 LPAR3 (0.44) ALDH1A1TDP1THRBTSHRMEN1
SCHEMBL3333515 0.87 LPAR3 (0.44) ALDH1A1TDP1THRBTSHRMEN1
SCHEMBL28961491 0.87 LPAR3 (0.44) ALDH1A1TDP1THRBTSHRMEN1
SCHEMBL10880322 0.87 LPAR3 (0.44) ALDH1A1TDP1THRBTSHRMEN1
SCHEMBL11208184 0.87 LPAR3 (0.44) ALDH1A1TDP1THRBTSHRMEN1
Propene SCHEMBL28121859 0.87 ALDH1A1 (0.32) ALDH1A1TDP1TSHR
SCHEMBL27959008 0.86 TSHR (0.50) ALDH1A1TDP1TSHRKMT2A
SCHEMBL1609552 0.85 LPAR3 (0.41) ALDH1A1TDP1THRBTSHRMEN1

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-110660761-B Heat-conducting structure or semiconductor device 丰田自动车株式会社 2023-10-20 CN claimed