SCHEMBL29085552

SCHEMBL29085552

C=CC(=O)OCCCC(c1ccccc1)C(C)N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.47
▸ TSHR P16473 7/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ HIF1A Q16665 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 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
SCHEMBL22047091 0.83 THRB (0.51) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL15901529 0.82 THRB (0.55) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL29085560 0.79 THRB (0.47) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25385324 0.78 THRB (0.51) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL29161128 0.78 THRB (0.51) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL5070208 0.77 THRB (0.54) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL21837194 0.77 CHRNB2 (0.57) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL24709495 0.77 THRB (0.60) THRBTSHRHPGDALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL19281720 0.76 CHRNB2 (0.56) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL10457516 0.76 THRB (0.49) THRBTSHRHPGDALDH1A1CYP3A4

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-116639782-A Wet type coating room circulating water treatment agent, method for capturing paint and water treatment method 栗田工业(大连)有限公司 2023-08-25 — — CN disclosed
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