Isopropyl Alcohol

Isopropyl Alcohol

SCHEMBL6556737

CC(C)O.CC(C)OC(=O)CCO

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.40
MAPT P10636 4/20 0.39
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.35
CYP2D6 P10635 1/20 0.34
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
EPHX2 P34913 1/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 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
SCHEMBL1591285 0.95
SCHEMBL72471 0.82 LMNA (0.62) LMNATSHRMAPTHTTCYP2D6
SCHEMBL155921 0.81 LMNA (0.63) LMNATSHRMAPTCYP4F2CYP4A11
SCHEMBL31402602 0.79 LMNA (0.60) LMNATSHRMAPTHTTCYP2D6
Hydrochloric Acid SCHEMBL6385125 0.79 LMNA (0.61) LMNATSHRMAPTCYP4F2CYP4A11
Isopropyl Alcohol SCHEMBL811815 0.79 LMNA (0.50) LMNATSHRMAPTHTTCYP2D6
SCHEMBL3505201 0.79 LMNA (0.67) LMNATSHRMAPTMAPK1ALDH1A1
SCHEMBL1278227 0.77 LMNA (0.70) LMNAMAPTMAPK1ALDH1A1GAA
SCHEMBL3504067 0.77 LMNA (0.70) LMNAMAPTMAPK1ALDH1A1GAA
SCHEMBL3503956 0.77 LMNA (0.70) LMNAMAPTMAPK1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1197491-B1 Thioxanthenone antitumor agents SANOFI AVENTIS (FR) 2004-12-29 EP disclosed
EP-0917458-B1 LYOPHILIZED THIOXANTHENONE ANTIMUMOR AGENTS SANOFI SYNTHELABO INC (US) 2003-04-02 EP disclosed
EP-0882723-B1 Thioxanthenone antitumor agents SANOFI SYNTHELABO (FR) 2002-07-31 EP disclosed
EP-1197491-A1 Thioxanthenone antitumor agents SANOFI-SYNTHELABO (FR) 2002-04-17 EP disclosed
EP-0619315-B1 Thioxanthenone antitumor agents SANOFI SA (FR) 1999-06-09 EP disclosed
EP-0917458-A1 LYOPHILIZED THIOXANTHENONE ANTIMUMOR AGENTS SANOFI (FR) 1999-05-26 EP disclosed
EP-0882723-A1 Thioxanthenone antitumor agents SANOFI (FR) 1998-12-09 EP disclosed
US-5665760-A Lyophilized thioxanthenone antitumor agents SANOFI WINTHROP, INC. (US) 1997-09-09 US disclosed
WO-1997010809-A1 LYOPHILIZED THIOXANTHENONE ANTIMUMOR AGENTS SANOFI (FR) 1997-03-27 WO disclosed
US-5380749-A Thioxanthenone antitumor agents STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0619315-A1 Thioxanthenone antitumor agents STERLING WINTHROP INC. (US) 1994-10-12 EP disclosed
US-5346917-A For mammals STERLING WINTHROP INC. (US) 1994-09-13 US disclosed