SCHEMBL29707196

SCHEMBL29707196

COCOc1c(OCC(O)CO)ccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
AGTR1 P30556 1/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 2/20 0.47
VDR P11473 5/20 0.44
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 2/20 0.39
TSHR P16473 1/20 0.39
LIPE Q05469 1/20 0.38
SMPD1 P17405 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KIT P10721 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL29707194 1.00 CYP1A2 (0.50) CYP1A2AGTR1LMNAKDM4EVDR
SCHEMBL23041708 1.00 CYP1A2 (0.50) CYP1A2AGTR1LMNAKDM4EVDR
SCHEMBL29707199 0.81 HTR1A (0.43) LMNAKDM4EMAPK1LIPEMAPT
SCHEMBL23041328 0.81 HTR1A (0.43) LMNAKDM4EMAPK1LIPEMAPT
SCHEMBL7775128 0.80 CYP1A2 (0.65) CYP1A2AGTR1LMNAKDM4EVDR
SCHEMBL23041031 0.80 LMNA (0.47) CYP1A2LMNACYP2C19MAPK1LIPE
SCHEMBL23041040 0.77 MEN1 (0.43) KDM4EMEN1KMT2AMAPK1LIPE
SCHEMBL23041061 0.75 TUBB1 (0.43) LMNAMAPK1LIPESMPD1HDAC1
SCHEMBL29707204 0.75 TUBB1 (0.43) LMNAMAPK1LIPESMPD1HDAC1
SCHEMBL29707210 0.75 BCHE (0.43) MAPK1LIPEMAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021510-A2 CONJUGATES AND CONJUGATES FOR USE IN PREVENTING OR TREATING OF BRAIN DAMAGE AND NEURODEGENERATIVE DISEASES Medicortex Finland Oy (FI) 2022-07-06 EP disclosed