SCHEMBL9307505

SCHEMBL9307505

CCCCCCCCCCCCCCOc1ccc(C(=O)OC)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 6/20 0.67
MGLL Q99685 1/20 0.67
THRA P10827 1/20 0.65
THRB P10828 1/20 0.65
PLA2G4B P0C869 1/20 0.60
MAPT P10636 2/20 0.57
PRSS1 P07477 2/20 0.57
TSHR P16473 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL29171445 1.00 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL29171402 1.00 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL29171407 1.00 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL29171439 1.00 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL29171419 1.00 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL14930509 1.00 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL29171438 1.00 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL14930505 0.99 SMPD1 (0.65) SMPD1MGLLTHRATHRBPLA2G4B
SCHEMBL9307263 0.94 SMPD1 (0.76) SMPD1MGLLTHRATHRBMAPT
SCHEMBL24950547 0.94 SMPD1 (0.67) SMPD1MGLLTHRATHRBPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117550979-B Vanillic acid derivative and preparation method and application thereof 广西师范大学 2025-03-11 CN claimed
CN-117550979-B Vanillic acid derivative and preparation method and application thereof 广西师范大学 2025-03-11 CN disclosed
CN-117550979-A Vanillic acid derivative and preparation method and application thereof 广西师范大学 2024-02-13 CN disclosed
US-5328921-A Antagonist of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1994-07-12 US disclosed
US-5208247-A Antianaphylactic agents or septic shock AMERICAN CYANAMID COMPANY (US) 1993-05-04 US disclosed
EP-0530444-A1 Aryl, amide, imide, and carbamate pyridine antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1993-03-10 EP disclosed