SCHEMBL9822983

SCHEMBL9822983

C=C(c1ccc(N(C)C)cc1)c1ccc(OC)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.61
PDE4B Q07343 4/20 0.61
PDE4C Q08493 4/20 0.61
PDE4D Q08499 4/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NQO2 P16083 1/20 0.53
ALDH1A1 P00352 4/20 0.51
CYP2C19 P33261 3/20 0.51
CYP2C9 P11712 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
BACE1 P56817 1/20 0.51
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50

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
SCHEMBL7247673 0.86 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL14375953 0.86 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL14375516 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL29884026 0.81 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL12679042 0.80 MEN1 (0.83) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL441802 0.80 MEN1 (0.83) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL24050881 0.79 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9098425 0.79 MEN1 (0.63) MEN1KMT2AALDH1A1CYP2C19HSD17B10
SCHEMBL7100310 0.77 TUBB4A (0.78) PDE4APDE4BPDE4CPDE4DNQO2
SCHEMBL10473334 0.77 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0242170-B1 DIVINYL COMPOUNDS AND CHROMOGENIC RECORDING-MATERIAL PREPARED BY USE THEREOF YAMADA CHEMICAL CO., LTD. (JP) 1991-09-18 EP disclosed
US-4835291-A Divinyl compounds and chromogenic recording-material prepared by using thereof YAMADA CHEMICAL CO., LTD. (JP) 1989-05-30 US disclosed
EP-0242170-A2 Divinyl compounds and chromogenic recording-material prepared by use thereof YAMADA CHEMICAL CO., LTD. (JP) 1987-10-21 EP disclosed