SCHEMBL28660970

SCHEMBL28660970

CCCCCCCC(CN)CCO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
OPRM1 P35372 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
CYP2D6 P10635 2/20 0.44
SPHK1 Q9NYA1 2/20 0.44
TP53 P04637 2/20 0.44
GMNN O75496 1/20 0.44
POLB P06746 1/20 0.44
THPO P40225 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL5443920 0.98 LMNA (0.54) LMNAALDH1A1TDP1OPRM1HSD17B10
SCHEMBL28066369 0.91 LMNA (0.58) LMNAALDH1A1TDP1HSD17B10MEN1
SCHEMBL10538663 0.89 LMNA (0.47) LMNAALDH1A1TDP1MEN1KMT2A
SCHEMBL20495968 0.89 ALDH1A1 (0.64) LMNAALDH1A1TDP1OPRM1MEN1
SCHEMBL22658086 0.89 ALDH1A1 (0.64) LMNAALDH1A1TDP1OPRM1MEN1
SCHEMBL24684882 0.89 ALDH1A1 (0.64) LMNAALDH1A1TDP1OPRM1MEN1
SCHEMBL22342116 0.89 ALDH1A1 (0.64) LMNAALDH1A1TDP1OPRM1MEN1
SCHEMBL22766465 0.89 ALDH1A1 (0.64) LMNAALDH1A1TDP1OPRM1MEN1
SCHEMBL8619929 0.89 ALDH1A1 (0.64) LMNAALDH1A1TDP1OPRM1MEN1
SCHEMBL11042224 0.89 ALDH1A1 (0.64) LMNAALDH1A1TDP1OPRM1MEN1

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-108883316-B Skin-lightening, sunscreen, vitamin D-generating compositions 欧内斯特·阿姆斯特朗 2021-11-19 CN disclosed