SCHEMBL8046128

SCHEMBL8046128

CCCC[S+](CCCC)c1ccc(O)cc1.F[B-](F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SHBG P04278 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSPD1 P10809 1/20 0.41
ADRB3 P13945 1/20 0.41
HTR2C P28335 1/20 0.41
HSPE1 P61604 1/20 0.41
HIF1A Q16665 1/20 0.41
TST Q16762 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL31461090 0.92 ESR1 (0.47) ESR1ADRA2AADORA3TACR2SLC6A2
Hydrochloric Acid SCHEMBL11703889 0.85 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11301243 0.78 DNM1 (0.35) LMNAALDH1A1TP53TSHRMAPK1
SCHEMBL7289270 0.76 ESR1 (0.44) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL3201160 0.73 LTA4H (0.38) ESR1TP53PTGS2LTA4HTSHR
SCHEMBL31461091 0.72 ESR1 (0.42) ESR1ADRA2AADORA3TACR2SLC6A2
Hydroquinone SCHEMBL28278583 0.71 ESR1 (0.68) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9285253 0.69 ALDH5A1 (0.31) LMNAKDM4EALDH1A1CYP3A4HIF1A
Hydroquinone SCHEMBL8153414 0.69 ESR1 (0.73) ESR1ADRA2AADORA3TACR2SLC6A2
Bromide SCHEMBL11704208 0.68 ESR1 (0.48) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0762208-B1 Light sensitive composition KONISHIROKU PHOTO IND (JP) 2000-04-12 EP disclosed
US-5773194-A PHOTOSENSITIVITY; DURABILITY KONICA CORPORATION (JP) 1998-06-30 US disclosed
EP-0762208-A2 Light sensitive composition, presensitized lithographic printing plate and image forming method employing the printing plate KONICA CORPORATION (JP) 1997-03-12 EP disclosed