SCHEMBL8070296

SCHEMBL8070296

C=CC(=O)OCC(O)N(CC)CC

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
HPGD P15428 1/20 0.44
ALDH1A1 P00352 5/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 3/20 0.38
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL4369137 0.83 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11424258 0.82 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL184856 0.81 TSHR (0.60) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL3251563 0.81 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27669542 0.80 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10306277 0.77 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20359743 0.77 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27821519 0.76
SCHEMBL27800525 0.76
SCHEMBL33585 0.76

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0106193-A2 Liquid skin cleanser composition UNION CARBIDE CORPORATION (US) 1984-04-25 EP claimed
US-6063368-A MIXTURE OF FOAMING AGENT, WATER SOLUBLE FILM FORMING QUATERNIZED POLYMER AND WATER AVEDA CORPORATION (US) 2000-05-16 US disclosed
US-4465802-A WITH WATER SOLUBLE CATIONIC POLYMER AND CATIONIC SURFACTANT UNION CARBIDE CORPORATION (US) 1984-08-14 US disclosed
US-4362528-A OXIDATION COLOR DYE,CATIONIC POLYMER TO IMPROVE FEEL,SHAMPOO WITH ANIONIC DETERGENT SOCIETE ANONYME DITE: L'OREAL (FR) 1982-12-07 US disclosed
US-4314807-A CATIONIC POLYMER, ANIONIC SURFACTANT SHAMPOO L'OREAL (FR) 1982-02-09 US disclosed
US-3980769-A ANIONIC AND AMPHOTERIC SURFACTANTS L'OREAL (FR) 1976-09-14 US disclosed
US-3958581-A Cosmetic composition containing a cationic polymer and divalent metal salt for strengthening the hair L'OREAL (FR) 1976-05-25 US disclosed