SCHEMBL31092005

SCHEMBL31092005

CCCCC(C)C(C)(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR2 Q92731 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSH P09668 1/20 0.38
CTSS P25774 1/20 0.38
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
TTR P02766 1/20 0.38
CNR2 P34972 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL27517561 0.84 ALDH1A1 (0.43) ALDH1A1CYP2D6CYP2C19HSD17B10ESR2
SCHEMBL20717915 0.84 ALDH1A1 (0.56) ALDH1A1CYP2D6CYP2C19HSD17B10ESR2
SCHEMBL12605622 0.84 ALDH1A1 (0.56) ALDH1A1CYP2D6CYP2C19HSD17B10ESR2
SCHEMBL12605621 0.84 ALDH1A1 (0.56) ALDH1A1CYP2D6CYP2C19HSD17B10ESR2
SCHEMBL6057016 0.81 POLB (0.38) ALDH1A1CYP2D6CYP2C19HSD17B10ESR2
SCHEMBL996262 0.81 POLB (0.38) ALDH1A1CYP2D6CYP2C19HSD17B10ESR2
SCHEMBL7913347 0.81 CYP2C19 (0.47) ALDH1A1CYP2D6CYP2C19HSD17B10ESR2
SCHEMBL28730258 0.81 MEN1 (0.40) ALDH1A1CYP2C19ESR2POLBMEN1
SCHEMBL11030342 0.79 MAPK1 (0.44) ALDH1A1CYP2C19HSD17B10ESR2POLB
SCHEMBL25240606 0.78 ESR2 (0.37) ALDH1A1ESR2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118695840-A UV filter composition comprising closed cell metal oxide particles 巴斯夫欧洲公司 2024-09-24 CN disclosed
CN-118574599-A UV filter compositions comprising hybrid metal oxide particles 巴斯夫欧洲公司 2024-08-30 CN disclosed