SCHEMBL19052124

SCHEMBL19052124

CC1(C)C(/C=C/C=C2/N(CCCS(=O)(=O)O)c3ccc(C(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)O)c2ccc(OC=O)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.59
PRMT1 Q99873 8/20 0.51
PRMT5 O14744 2/20 0.43
PRMT8 Q9NR22 2/20 0.43
CARM1 Q86X55 1/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
ADORA1 P30542 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
ADRB1 P08588 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 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
SCHEMBL19063564 0.93 PTPN1 (0.67) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL19063553 0.88 PTPN1 (0.62) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL19052122 0.88 PTPN1 (0.61) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL29331243 0.87 PTPN1 (0.60) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL17853016 0.86 PTPN1 (0.59) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL17853018 0.86 PTPN1 (0.59) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL29330707 0.84 PTPN1 (0.57) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL17856473 0.84 PTPN1 (0.57) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL14015300 0.82 PTPN1 (0.69) PTPN1PRMT1PRMT5PRMT8CARM1
SCHEMBL14198519 0.82 PTPN1 (0.54) PTPN1PRMT1PRMT5PRMT8CARM1

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