SCHEMBL19052129

SCHEMBL19052129

CC1(C)C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)O)c2cccc(S(=O)(=O)O)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
FOLH1 Q04609 5/20 0.51
CHRM1 P11229 3/20 0.51
CHRM3 P20309 3/20 0.51
OPRK1 P41145 2/20 0.51
HRH2 P25021 2/20 0.51
MLNR O43193 1/20 0.51
NR1I2 O75469 1/20 0.51
PGR P06401 1/20 0.51
ADRB1 P08588 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
DRD2 P14416 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CNR1 P21554 1/20 0.51
DRD1 P21728 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
HTR2C P28335 1/20 0.51
BDKRB2 P30411 1/20 0.51

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
SCHEMBL19052138 0.97 FOLH1 (0.54) PTPN1FOLH1CHRM1CHRM3OPRK1
SCHEMBL19063111 0.93 PTPN1 (0.53) PTPN1FOLH1CHRM1CHRM3OPRK1
SCHEMBL19052128 0.91 PTPN1 (0.52) PTPN1FOLH1CHRM1CHRM3OPRK1
SCHEMBL19052123 0.91 PTPN1 (0.59) PTPN1FOLH1CHRM1CHRM3OPRK1
SCHEMBL19063395 0.91 PTPN1 (0.64) PTPN1FOLH1CHRM1CHRM3OPRK1
SCHEMBL19063492 0.91 FOLH1 (0.56) PTPN1FOLH1CHRM1CHRM3OPRK1
SCHEMBL254643 0.90 PTPN1 (0.50) PTPN1FOLH1CHRM1CHRM3OPRK1
SCHEMBL19052142 0.88 PTPN1 (0.49) PTPN1FOLH1CHRM1CHRM3OPRK1
SCHEMBL19063112 0.88 PTPN1 (0.53) PTPN1FOLH1CHRM1CHRM3OPRK1
SCHEMBL19064658 0.87 PTPN1 (0.58) PTPN1FOLH1CHRM1CHRM3OPRK1

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
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed