SCHEMBL8052932

SCHEMBL8052932

COc1c(C(=O)CO)ccc(OCc2ccccc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PDE4D Q08499 1/20 0.49
HPGD P15428 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RXRA P19793 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
LMNA P02545 1/20 0.43
MAOB P27338 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL8444239 0.89 PDE4D (0.54) SMN1; SMN2MAPTTDP1CYP2C9CYP2C19
SCHEMBL19267889 0.86 SMN1; SMN2 (0.67) SMN1; SMN2MAPTTDP1CYP2C9CYP2C19
SCHEMBL27954378 0.81 MAPT (0.53) SMN1; SMN2MAPTTDP1PDE4DHPGD
SCHEMBL9729812 0.77 LRRK2 (0.57) SMN1; SMN2MAPTHPGDNPC1RAB9A
SCHEMBL10998628 0.76 CTSV (0.49) SMN1; SMN2PDE4DHPGDNPC1RAB9A
SCHEMBL11817706 0.76 PDE4D (0.52) SMN1; SMN2MAPTTDP1CYP2C9CYP2C19
SCHEMBL24708135 0.75 SMN1; SMN2 (0.56) SMN1; SMN2MAPTTDP1CYP2C9CYP2C19
SCHEMBL3679181 0.75 SGMS2 (0.60) SMN1; SMN2MAPTL3MBTL1NPC1LMNA
SCHEMBL14882633 0.75 CTSV (0.53) SMN1; SMN2MAPTTDP1CYP2C9CYP2C19
SCHEMBL10928397 0.74 L3MBTL1 (0.60) SMN1; SMN2MAPTTDP1CYP2C9CYP2C19

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
CN-116768839-A Synthesis method of oroxylin 南京芩领医药科技有限公司 2023-09-19 CN disclosed
US-6025387-A Gastroprotective flavone/flavanone compounds with therapeutic effect on inflammatory bowel disease DONG A PHARMACEUTICAL CO., LTD. (KR) 2000-02-15 US disclosed