SCHEMBL7764504

SCHEMBL7764504

CC(O)Oc1ccccc1.N#CCCCCC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP2D6 P10635 1/20 0.36
ADRB3 P13945 1/20 0.36
LTB4R Q15722 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GHSR Q92847 1/20 0.34
TSHR P16473 1/20 0.34
KCNH2 Q12809 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
Water SCHEMBL30489926 0.84 LMNA (0.50) LMNAMTNR1AMTNR1BGAAALDH1A1
Water SCHEMBL28244606 0.84 LMNA (0.50) LMNAMTNR1AMTNR1BGAAALDH1A1
Benzene SCHEMBL28097669 0.82 LMNA (0.52) LMNAMTNR1AMTNR1BGAAALDH1A1
SCHEMBL15709 0.82 LMNA (0.52) LMNAMTNR1AMTNR1BGAAALDH1A1
SCHEMBL167127 0.82 LMNA (0.52) LMNAMTNR1AMTNR1BGAAALDH1A1
Methyl Alcohol SCHEMBL7078021 0.80 LMNA (0.50) LMNAMTNR1AMTNR1BGAAALDH1A1
Hydrochloric Acid SCHEMBL12613519 0.80 LMNA (0.50) LMNAMTNR1AMTNR1BGAAALDH1A1
SCHEMBL21803703 0.80 LMNA (0.50) LMNAMTNR1AMTNR1BGAAALDH1A1
SCHEMBL14880143 0.80 LMNA (0.50) LMNAMTNR1AMTNR1BGAAALDH1A1
SCHEMBL28824443 0.80 LMNA (0.50) LMNAMTNR1AMTNR1BGAAALDH1A1

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
EP-0814759-B1 SUNSCREEN COMPOSITIONS COMPRISING A MIXTURE OF TITANIUM AND ZINC OXIDE PARTICLES, METHOD FOR PREPARING THE SAME AND USE THEREOF FABRE PIERRE DERMO COSMETIQUE (FR) 2001-05-30 EP disclosed
US-5939054-A SYNERGISTIC MIXTURE OF TITANIUM OXIDE PARTICLES, ZINC OXIDE PARTICLES INCORPORATED IN PASTE-FORMING OILS, ESTERS, FATTY ALCOHOLS, ETHERS AND MIXTURES THEREOF PIERRE FABRE DERMO-COSMETIQUE (FR) 1999-08-17 US disclosed