SCHEMBL9712800

SCHEMBL9712800

CCC[CH]CC(C)c1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
NISCH Q9Y2I1 1/20 0.38
AOC3 Q16853 1/20 0.36
MC4R P32245 1/20 0.35
CYP2D6 P10635 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 2/20 0.35
HIF1A Q16665 1/20 0.35
PNMT P11086 1/20 0.34
BLM P54132 1/20 0.34
CASP1 P29466 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL17755070 0.77 ADRB2 (0.42) ADRB2ADRB1NISCHAOC3CYP2D6
SCHEMBL29295702 0.77 ADRB2 (0.42) ADRB2ADRB1NISCHAOC3CYP2D6
SCHEMBL9232403 0.76 ADRB2 (0.44) ADRB2ADRB1NISCHAOC3MC4R
SCHEMBL9284882 0.76 ADRB2 (0.44) ADRB2ADRB1NISCHAOC3MC4R
SCHEMBL17790152 0.75 TSHR (0.59) ADRB2ADRB1NISCHAOC3CYP2D6
SCHEMBL19518928 0.75 TSHR (0.59) ADRB2ADRB1NISCHAOC3CYP2D6
SCHEMBL3789761 0.75 TSHR (0.59) ADRB2ADRB1NISCHAOC3CYP2D6
SCHEMBL11527253 0.74 TAAR1 (0.47) AOC3CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL6682981 0.73 ADRB2 (0.42) ADRB2ADRB1NISCHAOC3CYP2D6
SCHEMBL9284668 0.73 ADRB2 (0.42) ADRB2ADRB1NISCHAOC3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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