SCHEMBL21291807

SCHEMBL21291807

CC(C[N+](C)(C)C)OC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 2/20 0.46
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
TBXA2R P21731 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
CHRM5 P08912 1/20 0.45
CHRM3 P20309 1/20 0.45
CYP2C9 P11712 1/20 0.45
GALR3 O60755 1/20 0.45
BLM P54132 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC1 Q13547 1/20 0.41

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
SCHEMBL569726 0.84 MEN1 (0.59) MEN1KMT2AMAPTLMNACA1
SCHEMBL29012476 0.83 MEN1 (0.58) MEN1KMT2ATSHRMAPTLMNA
SCHEMBL17850552 0.83 MEN1 (0.58) MEN1KMT2ATSHRMAPTLMNA
SCHEMBL16353031 0.81 APOBEC3A (0.55) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL14883562 0.81 MEN1 (0.48) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL14883553 0.81 MEN1 (0.48) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL14883612 0.81 MEN1 (0.48) MEN1KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL4578229 0.80 MEN1 (0.55) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL1798327 0.80 MEN1 (0.55) MEN1KMT2AMAPTLMNACA1
SCHEMBL15710024 0.80 MEN1 (0.55) MEN1KMT2ATSHRMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4175820-A1 COATINGS FROM POLYISOCYANURATE COATINGS (RIM) AND THEIR USE IN INJECTION MOLDING PROCESSES Covestro Deutschland AG (DE) 2023-05-10 EP disclosed
WO-2022002787-A1 COATINGS FROM POLYISOCYANURATE COATINGS (RIM) AND THEIR USE IN INJECTION MOLDING PROCESSES COVESTRO DEUTSCHLAND AG (DE) 2022-01-06 WO disclosed
EP-3538586-A1 DUAL-CURING COATING COMPOSITIONS Covestro Deutschland AG (DE) 2019-09-18 EP disclosed
EP-3538585-A1 COMPOSITE MATERIALS BASED ON DUAL-CURING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2019-09-18 EP disclosed
EP-3538583-A1 DUAL-CURING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2019-09-18 EP disclosed
EP-3529326-A1 HARD COATINGS WITH HIGH CHEMICAL AND MECHANICAL STABILITY Covestro Deutschland AG (DE) 2019-08-28 EP disclosed