SCHEMBL9149883

SCHEMBL9149883

CC(C)(C)c1ccccc1C(C)(C)c1ccccc1C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 2/20 0.55
TSHR P16473 1/20 0.55
CA2 P00918 2/20 0.50
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
KIF11 P52732 1/20 0.40
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.35
ALOX15 P16050 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ATP2A2 P16615 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATP2A3 Q93084 1/20 0.35
ALOX12 P18054 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34

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
SCHEMBL580584 0.90 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL29355273 0.90 ALDH1A1 (0.63) ALDH1A1TDP1TSHRCA2GABRA1
Methyl Alcohol SCHEMBL28457865 0.84 ALDH1A1 (0.65) ALDH1A1TDP1TSHRCA2GABRA1
Bromomethane SCHEMBL28461678 0.84 ALDH1A1 (0.57) ALDH1A1TDP1TSHRCA2GABRA1
Hydrochloric Acid SCHEMBL31147078 0.84 ALDH1A1 (0.57) ALDH1A1TDP1TSHRCA2GABRA1
Methylamine SCHEMBL28294592 0.84 ALDH1A1 (0.57) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL26120875 0.84 ALDH1A1 (0.48) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL28606377 0.81 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCA2GABRA1
SCHEMBL6281520 0.81 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCA2GABRA1
Methoxymethane SCHEMBL28022478 0.81 ALDH1A1 (0.55) ALDH1A1TDP1TSHRCA2GABRA1

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
US-20220127458-A1 TUBE, AND POLYAMIDE RESIN COMPOSITION KURARAY CO., LTD. (JP) 2022-04-28 US disclosed
US-5401708-A Water soluble graft copolymer of unsaturated acid and a polysiloxane as a water resistant coating for thermal printing KANZAKI PAPER MFG. CO., LTD. (JP) 1995-03-28 US disclosed