Tert-Butanol

Tert-Butanol

SCHEMBL28545751

CC(C)(C)O.NCCC1CCN(C(=O)O)CC1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.48
CHRM1 P11229 5/20 0.48
CHRM3 P20309 5/20 0.48
PRSS1 P07477 2/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
ST14 Q9Y5Y6 2/20 0.38
F10 P00742 1/20 0.38
F2 P00734 1/20 0.38
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL1710845 0.93 CHRM2 (0.49) CHRM2CHRM1CHRM3PRSS1PRSS2
Hydrochloric Acid SCHEMBL7443666 0.91 CHRM2 (0.48) CHRM2CHRM1CHRM3PRSS1PRSS2
Tert-Butanol SCHEMBL28555467 0.87 CHRM2 (0.48) CHRM2CHRM1CHRM3LMNA
SCHEMBL22389683 0.86 CHRM2 (0.48) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL20771830 0.81 CHRM2 (0.43) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL20771839 0.81 CHRM2 (0.43) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL19032638 0.81 CHRM2 (0.43) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL3405222 0.81 CHRM1 (0.44) CHRM2CHRM1CHRM3ITGB3ITGA2B
Tert-Butanol SCHEMBL28550813 0.81 CHRM2 (0.43) CHRM2CHRM1CHRM3LMNA
Hydrochloric Acid SCHEMBL14157264 0.80 CHRM2 (0.43) CHRM2CHRM1CHRM3PRSS1PRSS2

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
CN-109942565-B Indoleamine-2, 3-dioxygenase inhibitor and preparation method and application thereof 海创药业股份有限公司 2021-03-26 CN disclosed