SCHEMBL22281045

SCHEMBL22281045

C=C(CO)C(=O)OCC[Si](CCCOc1ccc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1)(CCOC(=O)C(=C)CO)CCOC(=O)C(=C)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.40
▸ CYP2C9 P11712 3/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ITGB3 P05106 4/20 0.34
▸ ITGA2B P08514 4/20 0.34
▸ HRH2 P25021 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ PPARG P37231 2/20 0.32
▸ ITGAV P06756 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL22280814 0.92 RAB9A (0.39) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL22272436 0.91 RAB9A (0.35) RAB9ACYP2C9S1PR3ITGB3ITGA2B
SCHEMBL19722549 0.91 RAB9A (0.43) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL19722045 0.88 RAB9A (0.41) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL22272433 0.88 RAB9A (0.35) RAB9ACYP2C9S1PR3ITGB3ITGA2B
SCHEMBL19721996 0.88 RAB9A (0.46) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL19722609 0.88 RAB9A (0.46) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL19722154 0.87 RAB9A (0.45) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL22281046 0.86 RAB9A (0.40) RAB9ACYP2C9S1PR3LMNAALDH1A1
SCHEMBL22280815 0.86 RAB9A (0.40) RAB9ACYP2C9S1PR3LMNAALDH1A1

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
US-20200239773-A1 ADDITIVE AND APPLICATION THEREOF DAXIN MATERIALS CORPORATION (TW) 2020-07-30 — — US disclosed
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