SCHEMBL7252186

SCHEMBL7252186

COC(=O)NCc1ccc(CNC(=O)OC)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.69
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.48
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
TPSAB1 Q15661 1/20 0.47
HPGD P15428 1/20 0.46

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
SCHEMBL3598006 0.92 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1
SCHEMBL3598004 0.92 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1KMT2APKM
SCHEMBL10117993 0.92 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1KMT2APKM
SCHEMBL2721206 0.90 ALDH1A1 (0.65) TSHRSMN1; SMN2ALDH1A1KMT2APKM
Hydrochloric Acid SCHEMBL29094269 0.90 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1
SCHEMBL3609489 0.90 TSHR (0.64) TSHRSMN1; SMN2ALDH1A1KMT2APKM
SCHEMBL3006709 0.90 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1HDAC3HDAC1
SCHEMBL2755804 0.90 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL19321442 0.90 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1720194 0.89 ALDH1A1 (0.67) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000219-B2 Method for treatment of isocyanate residue, and method for treatment of carbonate MITSUI CHEMICALS, INC. (JP) 2015-04-07 US disclosed
US-20120271067-A1 METHOD FOR TREATMENT OF ISOCYANATE RESIDUE, AND METHOD FOR TREATMENT OF CARBONATE MITSUI CHEMICALS, INC. 2012-10-25 US disclosed
US-6639101-B2 Catalytic thermal decomposition of carbamates using silicates (clays, zeolites) as catalysts REPSOL QUIMICA, S.A. (ES) 2003-10-28 US disclosed
US-5138015-A Reacting dialkyl carbonate with diamine to give urethane, thermally decomposing into diisocyanate, coverting into polyurethane in presence of Lewis acid and/or protonic acid DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-11 US disclosed
EP-0477376-A1 PROCESS FOR PRODUCING POLYURETHANE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-01 EP disclosed