Isopropyl Alcohol

Isopropyl Alcohol

SCHEMBL11540475

CC(C)O.NC(=O)n1ccc2ccccc21

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.61
TSHR P16473 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PARP1 P09874 3/20 0.46
LMNA P02545 1/20 0.45
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.41
TFPI2 P48307 1/20 0.40
NPY4R P50391 1/20 0.40
GAA P10253 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
HTR3A P46098 1/20 0.39

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
SCHEMBL29370778 0.91 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1PARP1
SCHEMBL3649822 0.91 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1PARP1
Hydrochloric Acid SCHEMBL28144485 0.89 NOTUM (0.63) NOTUMTSHRRAB9AL3MBTL1PARP1
Hydrochloric Acid SCHEMBL16237239 0.89 NOTUM (0.63) NOTUMTSHRRAB9AL3MBTL1PARP1
Hydrochloric Acid SCHEMBL28843911 0.87 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1PARP1
SCHEMBL29195129 0.85 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1PARP1
Succinic Acid SCHEMBL28136128 0.81 TSHR (0.56) NOTUMTSHRRAB9AL3MBTL1PARP1
SCHEMBL27631979 0.79 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL29453277 0.77 TSHR (0.69) NOTUMTSHRRAB9AL3MBTL1LMNA
SCHEMBL931955 0.77 TSHR (0.69) NOTUMTSHRRAB9AL3MBTL1LMNA

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-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed