SCHEMBL8009952

SCHEMBL8009952

C=[Ti](Oc1cccc(-c2ccccc2)c1)C1=CC=CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.35
LTA4H P09960 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
BACE1 P56817 1/20 0.33
NR4A2 P43354 1/20 0.33
DHFR P00374 1/20 0.32
EPHX1 P07099 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
Hydrochloric Acid SCHEMBL715764 0.99 MRGPRX4 (0.35) MRGPRX4LTA4HRXRARXRBHRH3
Hydrochloric Acid SCHEMBL716381 0.82 RXRA (0.35) MRGPRX4RXRARXRBDHFREPHX1
Hydrochloric Acid SCHEMBL713788 0.80 MRGPRX4 (0.37) MRGPRX4RXRARXRBNR4A2
Hydrochloric Acid SCHEMBL3683549 0.79 RXRA (0.38) MRGPRX4LTA4HRXRARXRBHRH3
SCHEMBL5616337 0.79 CYP3A4 (0.35) NR4A2
SCHEMBL3232381 0.78 FAAH (0.33) LTA4HRXRARXRBMAOAMAOB
Hydrochloric Acid SCHEMBL715131 0.78 CYP3A4 (0.35) NR4A2
Hydrochloric Acid SCHEMBL714552 0.77 FAAH (0.32) LTA4HRXRARXRBMAOAMAOB
Hydrochloric Acid SCHEMBL714381 0.75 MAOA (0.33) MAOAMAOBDHFREPHX1
SCHEMBL7931687 0.75 FAAH (0.33) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6084048-A SPECIFIED 1-BUTENE-PROPYLENE COPOLYMER WITH NO CRYSTALLINE MELTING PEAK AND NO CRYSTALLIZATION PEAK ACCORDING TO A DIFFERENTIAL SCANNING CALORIMETER MEASUREMENT; BLENDS WITH POLYOLEFINS HAVING FLEXIBILITY, ELONGATION, WEAR RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-04 US disclosed