SCHEMBL28180331

SCHEMBL28180331

CCCCCCNCO[Si](CC)(OC)OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.37
EPHX1 P07099 4/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
S1PR2 O95136 5/20 0.34
S1PR4 O95977 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR5 Q9H228 1/20 0.34
RELA Q04206 4/20 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
SCHEMBL29140672 0.87 ALDH1A1 (0.41) TSHRALDH1A1LMNAEPHX1ADH1B
SCHEMBL28388956 0.84 TSHR (0.56) TSHRALDH1A1LMNAEPHX1ADH1B
SCHEMBL692270 0.81 CA12 (0.35) ALDH1A1LMNA
SCHEMBL143042 0.79 TSHR (0.38) TSHRALDH1A1LMNAADH1BADH1C
SCHEMBL28663704 0.78 RELA (0.37) TSHRALDH1A1LMNAEPHX1RELA
SCHEMBL4024130 0.76 TSHR (0.50) TSHRALDH1A1LMNAEPHX1ADH1B
SCHEMBL11141356 0.76 TSHR (0.50) TSHRALDH1A1LMNAEPHX1ADH1B
SCHEMBL28306368 0.76 CA12 (0.36) TSHRALDH1A1LMNAEPHX1RELA
SCHEMBL27819491 0.76 TP53 (0.32)
SCHEMBL29249229 0.75 ALDH1A1 (0.40) TSHRALDH1A1LMNAEPHX1ADH1B

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-107250291-A For chemical adhesion and the multifunctional super-hydrophobicity particle of frosting 维络斯弗洛有限责任公司 2017-10-13 CN disclosed