SCHEMBL7745663

SCHEMBL7745663

CC1(C)C(=CC2=C(O)C(C=C3N(CCCCS(=O)(=O)O)c4ccc(S(=O)(=O)O)cc4C3(C)C)C2O)N(CCCCCC(=O)O)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
CHRM1 P11229 4/20 0.32
CHRM3 P20309 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
ADORA1 P30542 3/20 0.32
CXCR4 P61073 1/20 0.32
ADRB2 P07550 1/20 0.31
HTR1A P08908 1/20 0.31
OPRK1 P41145 2/20 0.31
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
PGR P06401 1/20 0.31
ADRB1 P08588 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL7745671 1.00 PTPN1 (0.37) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL7745660 1.00 PTPN1 (0.37) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL8009961 0.96 ADORA1 (0.33) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL5003030 0.96 ADORA1 (0.33) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL8009972 0.96 ADORA1 (0.33) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL7750522 0.94 ADORA1 (0.34) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL7750517 0.94 ADORA1 (0.34) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL7750523 0.94 ADORA1 (0.34) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL7745631 0.93 CHRM1 (0.34) PTPN1CHRM1CHRM3CHRM2CHRM4
SCHEMBL7745635 0.93 CHRM1 (0.34) PTPN1CHRM1CHRM3CHRM2CHRM4

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-0898596-B1 SQUARATE DYES AND THEIR USE IN FLUORESCENT SEQUENCING METHOD AMERSHAM PHARM BIOTECH UK LTD (GB) 2001-08-29 EP disclosed
US-6140494-A INCREASED WATER SOLUBILITY, INCREASED PHOTOSTABILITY, BRIGHTNESS AND THE POTENTIAL REDUCTION OF INTERACTIONS WITH SURROUNDINGS AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-31 US disclosed