SCHEMBL6686875

SCHEMBL6686875

CCCCCC(C)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
NISCH Q9Y2I1 1/20 0.40
AOC3 Q16853 1/20 0.38
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP2D6 P10635 2/20 0.37
NFKB1 P19838 2/20 0.37
HIF1A Q16665 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PNMT P11086 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL6684286 0.98 ADRB2 (0.40) ADRB2ADRB1NISCHAOC3LMNA
SCHEMBL6682981 0.94 ADRB2 (0.42) ADRB2ADRB1NISCHAOC3LMNA
SCHEMBL9284668 0.94 ADRB2 (0.42) ADRB2ADRB1NISCHAOC3LMNA
SCHEMBL9232403 0.86 ADRB2 (0.44) ADRB2ADRB1NISCHAOC3LMNA
SCHEMBL9284882 0.86 ADRB2 (0.44) ADRB2ADRB1NISCHAOC3LMNA
SCHEMBL6678854 0.86 TSHR (0.43) TSHRMEN1KMT2ANPSR1ALDH1A1
SCHEMBL6684793 0.86 CYP1A2 (0.50) LMNATSHRMEN1KMT2ACYP2D6
SCHEMBL6684232 0.84 CYP1A2 (0.49) LMNAKDM4ETSHRMEN1KMT2A
SCHEMBL6684349 0.84 CSNK1E (0.42) TSHRMEN1KMT2ANPSR1ALDH1A1
SCHEMBL23491328 0.82 SOAT1 (0.38) LMNATSHRMEN1KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed