SCHEMBL8459408

SCHEMBL8459408

CCCCCCC(O)CCCCCCCCCCCOCC1CO1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.75
TDP1 Q9NUW8 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.64
TSHR P16473 1/20 0.56
USP2 O75604 1/20 0.44
SPHK2 Q9NRA0 1/20 0.43
SPHK1 Q9NYA1 1/20 0.43
HTT P42858 1/20 0.42
LPAR5 Q9H1C0 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL28280957 0.88 ALDH1A1 (0.75) ALDH1A1TDP1SMN1; SMN2TSHRUSP2
Glycerin SCHEMBL8428081 0.88 ALDH1A1 (0.75) ALDH1A1TDP1SMN1; SMN2TSHRUSP2
Methyl Alcohol SCHEMBL7346314 0.87 ALDH1A1 (0.92) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL9501546 0.87 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL10482100 0.87 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL260571 0.87 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL6376906 0.87 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL12977796 0.87 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL6377533 0.87 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2
SCHEMBL262010 0.87 ALDH1A1 (1.00) ALDH1A1TDP1SMN1; SMN2TSHRSPHK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691327-B1 AMINE DERIVATIVE AND DERMATOLOGIC PREPARATION CONTAINING THE SAME KAO CORP (JP) 1999-07-21 EP disclosed
US-5723497-A AMINE ALCOHOL DERIVATIVES FOR WRINKLE RESISTNCE KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0691327-A1 AMINE DERIVATIVE AND DERMATOLOGIC PREPARATION CONTAINING THE SAME Kao Corporation (JP) 1996-01-10 EP disclosed