SCHEMBL6302182

SCHEMBL6302182

O=S(=O)(c1ccccc1)c1ccc(C2CO2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 10/20 0.67
CHRM5 P08912 8/20 0.67
CHRM3 P20309 7/20 0.67
TSHR P16473 2/20 0.59
HTR6 P50406 3/20 0.54
CHRM1 P11229 6/20 0.54
CHRM4 P08173 5/20 0.54
PKM P14618 2/20 0.46
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
LOX P28300 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL14185372 0.83 CHRM2 (0.50) CHRM2CHRM5CHRM3TSHRCHRM1
SCHEMBL27596080 0.79 PKM (0.53) CHRM2CHRM5CHRM3TSHRHTR6
SCHEMBL322881 0.77 DRD2 (0.48) CHRM2CHRM5CHRM3
SCHEMBL28467238 0.76 TSHR (1.00) CHRM2CHRM5CHRM3TSHRCHRM1
SCHEMBL1943997 0.76
SCHEMBL987488 0.76
SCHEMBL21026 0.76
SCHEMBL6318357 0.76 CA2 (0.48) CHRM2CHRM5CHRM3TSHRALDH1A1
SCHEMBL1583079 0.76 CHRM2 (0.50) CHRM2CHRM5CHRM3TSHRCHRM1
SCHEMBL5051390 0.76 HTR6 (0.93) TSHRHTR6PKMALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2227286-A None JP disclosed
JP-2178083-A None JP disclosed
JP-4110191-A None JP disclosed
JP-3199087-A None JP disclosed
US-6921740-B1 Electron-receiving compound and thermal recording material MITSUBISHI PAPER MIILS LTD. (JP) 2005-07-26 US disclosed
JP-H04110191-A THERMAL RECORDING MATERIAL KANZAKI PAPER MFG CO LTD 1992-04-10 JP disclosed
US-5091359-A Chromogen, color developer, and novolak type epoxy resin KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-02-25 US disclosed
JP-H03199087-A THERMAL RECORDING MATERIAL KANZAKI PAPER MFG CO LTD 1991-08-30 JP disclosed
JP-H02227286-A THERMOSENSITIVE RECORDING MEDIUM KANZAKI PAPER MFG CO LTD 1990-09-10 JP disclosed
EP-0382523-A2 Heat-sensitive record material NEW OJI PAPER CO., LTD. (JP) 1990-08-16 EP disclosed
JP-H02178083-A THERMAL RECORDING MATERIAL KANZAKI PAPER MFG CO LTD 1990-07-11 JP disclosed