Butanol

Butanol

SCHEMBL10687791

CCC(C)O.Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ HTR2A P28223 2/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ PNMT P11086 1/20 0.49
▸ EPHX1 P07099 2/20 0.47
▸ PTGS1 P23219 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ADRA2C P18825 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ OPRK1 P41145 1/20 0.44
▸ PDE2A O00408 1/20 0.44
▸ NOS3 P29474 2/20 0.42
▸ NOS1 P29475 2/20 0.42
▸ NOS2 P35228 2/20 0.42

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
SCHEMBL29410732 0.82 TSHR (1.00) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL39591 0.82 TSHR (1.00) TSHRMAPK1HTR2AHTR2BHTR2C
SCHEMBL28129133 0.80 TSHR (0.95) TSHRMAPK1HTR2AHTR2BHTR2C
Hydrochloric Acid SCHEMBL30953679 0.80 TSHR (0.95) TSHRMAPK1HTR2AHTR2BHTR2C
Water SCHEMBL27781603 0.80 TSHR (0.95) TSHRMAPK1HTR2AHTR2BHTR2C
Hydrochloric Acid SCHEMBL4372377 0.80 TSHR (0.95) TSHRMAPK1HTR2AHTR2BHTR2C
Hydrochloric Acid SCHEMBL2790297 0.80 TSHR (0.95) TSHRMAPK1HTR2AHTR2BHTR2C
Iodide SCHEMBL31305312 0.80 TSHR (0.95) TSHRMAPK1HTR2AHTR2BHTR2C
Water SCHEMBL7109306 0.80 TSHR (0.95) TSHRMAPK1HTR2AHTR2BHTR2C
Water SCHEMBL27580150 0.80 TSHR (0.95) TSHRMAPK1HTR2AHTR2BHTR2C

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-4723986-A Herbicidal oxazolidines and methods of use STAUFFER CHEMICAL COMPANY (US) 1988-02-09 — — US disclosed
Send feedback