SCHEMBL9815997

SCHEMBL9815997

CC(C)CC([Zn])CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
ANPEP P15144 2/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
RNPEP Q9H4A4 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SLC7A5 Q01650 1/20 0.30

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
SCHEMBL7192964 0.75
SCHEMBL38322 0.71
SCHEMBL16468814 0.71
Hydrochloric Acid SCHEMBL28967109 0.67
Hydrochloric Acid SCHEMBL20995323 0.67
Ammonia Solution, Strong SCHEMBL9309545 0.67
SCHEMBL3075111 0.64 TSHR (0.47) TSHRALDH1A1MAPK1ANPEPERAP2
SCHEMBL599901 0.64 TSHR (0.47) TSHRALDH1A1MAPK1ANPEPERAP2
SCHEMBL2935124 0.64 TSHR (0.47) TSHRALDH1A1MAPK1ANPEPERAP2
SCHEMBL23846021 0.61 TSHR (0.44) TSHRALDH1A1MAPK1ANPEPERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129069-B1 PROCESS FOR BONDING NON-POLAR OR HIGHLY CRYSTALLINE RESIN SUBSTRATS TO EACH OTHER OR TO ANOTHER MATERIAL TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-08-21 EP claimed
US-4009199-A IMPREGNATION OF SILICA GEL CATALYST WITH ALUMINUM-TITANIUM-ZINC-TIN COMPOUNDS CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) 1977-02-22 US claimed
US-4066628-A REACTING ORGANIC ISOCYANATE WITH AN EPOXIDE MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-03 US disclosed
US-4022808-A ZINC-ALUMINUM-TITANIUM-TIN-IRON OR GROUP 5A AS CATALYSTS NIPPON SODA COMPANY LIMITED (JA) 1977-05-10 US disclosed
US-4009199-A IMPREGNATION OF SILICA GEL CATALYST WITH ALUMINUM-TITANIUM-ZINC-TIN COMPOUNDS CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DT) 1977-02-22 US disclosed