SCHEMBL11528822

SCHEMBL11528822

CCCC(CO)N(N)CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2D6 P10635 2/20 0.32
MAPT P10636 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CETP P11597 1/20 0.32
HTT P42858 1/20 0.32
UBE2N P61088 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH2 P05091 1/20 0.30

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
SCHEMBL20988105 0.78 MAPT (0.35) ALDH1A1MAPTALDH2
SCHEMBL28103264 0.77 MAPT (0.31) ALDH1A1MAPTALDH2
SCHEMBL12226585 0.74 TP53 (0.41) TSHRTP53
SCHEMBL11193257 0.73 LMNA (0.38) TSHRLMNAALDH1A1CYP2D6MAPT
SCHEMBL28181120 0.72 AOC3 (0.31)
SCHEMBL6546657 0.72 TSHR (0.46) TSHRLMNAALDH1A1CYP3A4
SCHEMBL9949162 0.71 MAPT (0.39) TSHRLMNAMAPT
SCHEMBL5072392 0.71 ALDH1A1 (0.41) TSHRLMNAALDH1A1CYP2D6MAPT
SCHEMBL8506946 0.70
SCHEMBL11642303 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160819-A APPLYING PROTECTIVE AGENT COMPRISING CONDENSATION PRODUCT OF ALKYLENE OXIDE AND POLYAMINE CINCINNATI MILACRON, INC. (US) 1979-07-10 US disclosed
US-4141966-A APPLYING TO SKIN A PROTECTIVE AGENT CONTAINING TWO POLAR GROUPS; PROTECTION FROM ALLERGIC CONTACT DERMATITIS CINCINNATI MILACRON (US) 1979-02-27 US disclosed
US-4137301-A Method of inhibiting skin irritation CINCINNATI MILACRON, INC. (US) 1979-01-30 US disclosed
US-4076799-A POISON IVY, AMINE SALT OF DIMERIZED ACID CINCINNATI MILACRON, INC. (US) 1978-02-28 US disclosed
US-4075318-A POLYESTERS, DIMER ACIDS AND DERIVATIVES CINCINNATI MILACRON, INC. (US) 1978-02-21 US disclosed
US-4067345-A Method and compositions for retarding chemical damage to hair with treating agents containing two or more polar groups CINCINNATI MILACRON INC. (US) 1978-01-10 US disclosed
US-4045550-A ESTER AND POLYESTER PROTECTIVE AGENTS CINCINNATI MILACRON INC. (US) 1977-08-30 US disclosed
US-3981990-A Skin protective compositions CINCINNATI MILACRON, INC. (US) 1976-09-21 US disclosed