SCHEMBL8444239

SCHEMBL8444239

COc1c(OCc2ccccc2)ccc(C(=O)CO)c1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.46
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTSV O60911 2/20 0.46
CTSL P07711 2/20 0.46
RXRA P19793 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46

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
SCHEMBL8052932 0.89 SMN1; SMN2 (0.53) PDE4DSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL11817706 0.84 PDE4D (0.52) PDE4DSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL10998628 0.84 CTSV (0.49) PDE4DSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL27967578 0.83 PKM (0.58) PDE4DSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL14882633 0.83 CTSV (0.53) PDE4DSMN1; SMN2NPC1HPGDRAB9A
SCHEMBL27860093 0.80 PDE4D (0.56) PDE4DSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL9729812 0.80 LRRK2 (0.57) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL5467535 0.79 PTGER1 (0.58) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL24379172 0.78 CTSV (0.51) SMN1; SMN2NPC1HPGDRAB9AMAPT
SCHEMBL855207 0.78 CTSV (0.54) SMN1; SMN2NPC1HPGDRAB9AMAPT

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-0915864-A1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE Dong A Pharmaceutical Co. Ltd. (KR) 1999-05-19 EP disclosed
WO-1998004541-A1 GASTROPROTECTIVE FLAVONE/FLAVANONE COMPOUNDS WITH THERAPEUTIC EFFECT ON INFLAMMATORY BOWEL DISEASE DONG A PHARMACEUTICAL CO., LTD. (KR) 1998-02-05 WO disclosed