SCHEMBL9319965

SCHEMBL9319965

CCCCCC[N+](C)(C)CCOC(=O)Oc1ccc(S(=O)(=O)O)cc1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
ESR1 P03372 1/20 0.43
NR3C1 P04150 1/20 0.43
PGR P06401 1/20 0.43
ADRB2 P07550 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CHRM3 P20309 1/20 0.43
MAOA P21397 1/20 0.43
CNR1 P21554 1/20 0.43
SLC6A2 P23975 1/20 0.43
NPY1R P25929 1/20 0.43

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
SCHEMBL9763647 0.95 MMP2 (0.43) MLNRNR1I2ESR1NR3C1PGR
SCHEMBL10414955 0.94 MMP2 (0.44) MLNRNR1I2ESR1NR3C1PGR
Hydrochloric Acid SCHEMBL9320020 0.88 MMP9 (0.42) LMNASMN1; SMN2MMP9MMP2MMP14
Hydrochloric Acid SCHEMBL9320000 0.88 MMP2 (0.43) LMNACYP3A4SMN1; SMN2MMP9MMP2
Hydrochloric Acid SCHEMBL10705161 0.87 MMP2 (0.42) LMNACYP3A4SMN1; SMN2MMP9MMP2
SCHEMBL8958935 0.86 S1PR3 (0.49) ALDH1A1LMNASMN1; SMN2MMP9MMP2
SCHEMBL10499202 0.86 S1PR3 (0.49) ALDH1A1LMNASMN1; SMN2MMP9MMP2
SCHEMBL4628634 0.86 S1PR3 (0.49) ALDH1A1LMNASMN1; SMN2MMP9MMP2
SCHEMBL9352816 0.85 S1PR3 (0.50) ALDH1A1LMNASMN1; SMN2MMP9MMP2
SCHEMBL9352787 0.85 S1PR3 (0.50) ALDH1A1LMNASMN1; SMN2MMP9MMP2

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
EP-0284132-B1 Quaternary ammonium or phosphonium peroxy carbonic acid precursors and their use in detergent bleach compositions UNILEVER NV (NL) 1994-01-12 EP disclosed
EP-0284132-A2 Quaternary ammonium or phosphonium peroxy carbonic acid precursors and their use in detergent bleach compositions UNILEVER N.V. (NL) 1988-09-28 EP disclosed