SCHEMBL22334756

SCHEMBL22334756

CCCCCC(=O)Oc1ccc(C(C)(CCC(C)(OO)c2ccc(OC(=O)CCC)cc2)OO)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR1A P08908 1/20 0.39
HTR1B P28222 1/20 0.39
CA2 P00918 3/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 1/20 0.38
RET P07949 1/20 0.37

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
SCHEMBL22334757 0.83 KMT2A (0.51) KMT2ASMN1; SMN2BCL9CTNNB1NPC1
SCHEMBL27652865 0.82 KMT2A (0.55) KMT2ASMN1; SMN2BCL9CTNNB1NPC1
SCHEMBL31094048 0.80 KMT2A (0.57) KMT2ASMN1; SMN2BCL9CTNNB1NPC1
SCHEMBL32684888 0.80 KMT2A (0.57) KMT2ASMN1; SMN2BCL9CTNNB1NPC1
SCHEMBL32685014 0.80 KMT2A (0.57) KMT2ASMN1; SMN2BCL9CTNNB1NPC1
SCHEMBL9016841 0.80 KMT2A (0.57) KMT2ASMN1; SMN2BCL9CTNNB1NPC1
SCHEMBL15987811 0.80 KMT2A (0.57) KMT2ASMN1; SMN2BCL9CTNNB1NPC1
SCHEMBL10407329 0.80 KMT2A (0.65) KMT2ASMN1; SMN2BCL9CTNNB1NPC1
SCHEMBL22334843 0.79 KMT2A (0.47) KMT2ASMN1; SMN2BCL9CTNNB1NPC1
SCHEMBL11526720 0.79 KMT2A (0.56) KMT2ASMN1; SMN2BCL9CTNNB1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039220-B1 DENTAL MATERIALS ON THE BASIS OF POLYMERISABLE THIOUREA DERIVATIVES IVOCLAR VIVADENT AG (LI) 2022-12-28 EP disclosed
EP-3692976-A1 DENTAL MATERIALS BASED ON REDOX SYSTEMS WITH LOW ODOR CUMOLHYDE-HYDROPEROXIDE DERIVATIVES Ivoclar Vivadent AG (LI) 2020-08-12 EP disclosed