SCHEMBL8440694

SCHEMBL8440694

CCCCCCCCCC[N+](C)(C)CCOS(=O)(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 8/20 0.55
HTT P42858 3/20 0.54
KMT2A Q03164 1/20 0.50
HSP90AA1 P07900 2/20 0.48
RAD52 P43351 2/20 0.48
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
ESR1 P03372 1/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
ADRB2 P07550 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRB1 P08588 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45

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
SCHEMBL16248893 1.00 DNM1 (0.55) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL8441546 1.00 DNM1 (0.55) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL8884249 1.00 DNM1 (0.55) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL11670838 1.00 DNM1 (0.55) DNM1HTTKMT2AHSP90AA1RAD52
Bromide SCHEMBL10492635 0.98 DNM1 (0.57) DNM1HTTKMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL10492655 0.98 DNM1 (0.53) DNM1HTTKMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL10492606 0.98 DNM1 (0.53) DNM1HTTKMT2AHSP90AA1RAD52
Bromide SCHEMBL10492585 0.98 DNM1 (0.57) DNM1HTTKMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL10492674 0.98 DNM1 (0.53) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL1572937 0.93 DNM1 (0.55) DNM1HTTKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004771-A EXTRACTED MYCOBACTERIAL SAMPLE IS SUITABLE FOR DETECTION BY CULTURE AND AMPLIFICATION INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1999-12-21 US disclosed
US-5658749-A DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION CORNING CLINICAL LABORATORIES, INC. (US) 1997-08-19 US disclosed