SCHEMBL8562009

SCHEMBL8562009

CCC(C)(c1ccccc1)c1cccc(O)c1C(C)(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 1/20 0.35
KCNA5 P22460 1/20 0.35
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
CYP3A4 P08684 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
CA2 P00918 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 2/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPY2R P49146 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL1836839 0.86 ALDH1A1 (0.52) ALDH1A1TSHRTDP1KIF11KCNA5
SCHEMBL7999737 0.76 ALDH1A1 (0.48) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL3152876 0.74 TSHR (0.60) ALDH1A1TSHRTDP1KIF11ESR1
SCHEMBL29381738 0.74 TSHR (0.60) ALDH1A1TSHRTDP1KIF11ESR1
SCHEMBL15846818 0.73 ESR1 (0.45) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL284909 0.73 TAAR1 (0.48) ALDH1A1TSHRESR1ESR2CYP3A4
SCHEMBL4396686 0.72 KIF11 (0.37) KIF11ESR1ESR2CYP2C19CYP2D6
SCHEMBL18092137 0.72 GABRA1 (0.42) ALDH1A1TSHRTDP1ESR1ESR2
SCHEMBL11139625 0.72 ALDH1A1 (0.47) ALDH1A1TSHRTDP1KIF11ESR1
SCHEMBL982955 0.72 ESR1 (0.48) ALDH1A1TSHRTDP1KCNA5ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108697053-A Agricultural canopy, plant cultivation method and heat ray reflection film structure using the agricultural canopy 帝人薄膜解决有限公司 2018-10-23 CN disclosed
US-20140179840-A1 Low Emission, UV Stabilized High Strength Acetal Copolymer TICONA LLC (US) 2014-06-26 US disclosed
EP-0925318-A1 CARBAMATE FUNCTIONAL POLYMERS AND COMPOSITIONS CONTAINING SAME PPG INDUSTRIES, INC. (US) 1999-06-30 EP disclosed
WO-1998010006-A1 CARBAMATE FUNCTIONAL POLYMERS AND COMPOSITIONS CONTAINING SAME PPG INDUSTRIES, INC. (US) 1998-03-12 WO disclosed