SCHEMBL7248312

SCHEMBL7248312

CCCCOCCCCO[C]=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7252397 0.98 MEN1 (0.45) TSHRCYP3A4MEN1THRBHTT
SCHEMBL7249899 0.98 MEN1 (0.45) TSHRCYP3A4MEN1THRBHTT
SCHEMBL7254369 0.95 TSHR (0.46) TSHRCYP3A4MEN1THRBHTT
SCHEMBL7209213 0.91 MEN1 (0.48) TSHRCYP3A4MEN1THRBHTT
SCHEMBL5540017 0.91 TSHR (0.50) TSHRCYP3A4MEN1THRBHTT
SCHEMBL1190989 0.91 TSHR (0.50) TSHRCYP3A4MEN1THRBHTT
SCHEMBL7249037 0.91 HTT (0.37) TSHRCYP3A4MEN1THRBHTT
SCHEMBL5846 0.90
SCHEMBL5428004 0.88 HTT (0.40) TSHRCYP3A4MEN1THRBHTT
SCHEMBL5539506 0.88 MEN1 (0.50) TSHRCYP3A4MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602825-B1 Cyclization of an isocyanate with a thiourea and carbonic acid BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
CN-1341105-A 1-aryl-1,3,5-triazine-4-thione-2,6-diones, production thereof and use thereof as herbicides BASF AG (DE) 2002-03-20 CN disclosed
EP-1157012-A1 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-28 EP disclosed
WO-2000050409-A1 1-ARYL-1,3,5-TRIAZINE-4-THIONE-2,6-DIONES, PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-08-31 WO disclosed
EP-0501167-B1 Liquid dye preparations BASF AG (DE) 1995-07-05 EP disclosed
US-5205838-A LIQUID DYE PREPARATIONS: BIS PHENYL-AZO-RESORCINOL IN SOLVENT FOR COLORED RIBBON OR BALL PEN INK BASF AKTIENGESELLSCHAFT (DE) 1993-04-27 US disclosed
EP-0501167-A1 Liquid dye preparations BASF Aktiengesellschaft (DE) 1992-09-02 EP disclosed
US-5104888-A Anticholesterol or antidiabetic agents SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0207581-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND USE SANKYO COMPANY LIMITED (JP) 1990-09-12 EP disclosed
EP-0207581-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed