SCHEMBL7395255

SCHEMBL7395255

[CH]1CCN(CCCOCc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD3 Q99594 2/20 0.59
LTA4H P09960 1/20 0.59
HRH3 Q9Y5N1 7/20 0.55
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
TMEM97 Q5BJF2 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL7387110 0.95 LTA4H (0.57) TEAD3LTA4HHRH3MEN1GAA
SCHEMBL7388987 0.94 LTA4H (0.56) TEAD3LTA4HHRH3MEN1GAA
SCHEMBL7389601 0.94 LTA4H (0.56) TEAD3LTA4HHRH3MEN1GAA
SCHEMBL7388780 0.93 LTA4H (0.67) TEAD3LTA4HHRH3MEN1GAA
SCHEMBL22440218 0.87 LTA4H (0.77) TEAD3LTA4HHRH3NPC1RAB9A
SCHEMBL19557301 0.83 LTA4H (0.75) TEAD3LTA4HHRH3MEN1GAA
SCHEMBL26981197 0.83 LTA4H (0.75) TEAD3LTA4HHRH3MEN1GAA
SCHEMBL6855553 0.83 TEAD3 (0.58) TEAD3LTA4HHRH3KDM4ESIGMAR1
SCHEMBL7246438 0.81 TEAD3 (0.60) TEAD3LTA4HHRH3MEN1GAA
SCHEMBL6942319 0.81 TEAD3 (0.56) TEAD3LTA4HHRH3KDM4ESIGMAR1

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
CN-115803030-A Compounds and methods for KRAS-targeted degradation 阿维纳斯企业公司 2023-03-14 CN disclosed
US-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed