Isopropyl Alcohol

Isopropyl Alcohol

SCHEMBL11779348

CC(C)O.O=C(O)Nc1ccccc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.58
NAPRT Q6XQN6 1/20 0.58
EPHX2 P34913 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
EPHX1 P07099 1/20 0.56
TSHR P16473 1/20 0.56
CDK9 P50750 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
MAPT P10636 3/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
HDAC3 O15379 2/20 0.54
HDAC4 P56524 2/20 0.54
HDAC1 Q13547 2/20 0.54
HDAC7 Q8WUI4 2/20 0.54
HDAC2 Q92769 2/20 0.54
HDAC10 Q969S8 2/20 0.54

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
Lactic Acid SCHEMBL8622247 0.91 MAPT (0.56) HSD17B10NAPRTEPHX2SMN1; SMN2TP53
L-Lactic Acid SCHEMBL7787988 0.91 MAPT (0.56) HSD17B10NAPRTEPHX2SMN1; SMN2TP53
Benzene SCHEMBL28162617 0.88 EPHX2 (0.70) HSD17B10NAPRTEPHX2SMN1; SMN2TP53
SCHEMBL7634 0.88 EPHX2 (0.70) HSD17B10NAPRTEPHX2SMN1; SMN2TP53
Dimethylamine SCHEMBL8779747 0.86 NAPRT (0.62) HSD17B10NAPRTEPHX2SMN1; SMN2TP53
Acetic Acid SCHEMBL6421164 0.86 NAPRT (0.70) HSD17B10NAPRTEPHX2SMN1; SMN2TP53
Iodide SCHEMBL5706290 0.85 EPHX2 (0.67) HSD17B10NAPRTEPHX2SMN1; SMN2TP53
Water SCHEMBL9215020 0.85 EPHX2 (0.67) HSD17B10NAPRTEPHX2SMN1; SMN2TP53
SCHEMBL11353365 0.85 EPHX2 (0.67) HSD17B10NAPRTEPHX2SMN1; SMN2TP53
Bromide SCHEMBL5706299 0.85 EPHX2 (0.67) HSD17B10NAPRTEPHX2SMN1; SMN2TP53

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-3992188-A Herbicidal mixtures of pyridazones and phenylsulfonyl methanesulfone O-alkylbenzene BASF AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed