SCHEMBL9049508

SCHEMBL9049508

CC(C)(C)C(=O)OCc1c(Cl)ccc2c1c(=O)n(CC(=O)O)c(=O)n2Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR2 P41597 12/20 0.41
ABCB11 O95342 4/20 0.41
TBXA2R P21731 2/20 0.39

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
SCHEMBL9047414 0.80 LMNA (0.47) LMNAGAAMAPTHTTSMN1; SMN2
SCHEMBL9050224 0.77 LMNA (0.42) LMNAGAAMAPTHTTSMN1; SMN2
SCHEMBL9057868 0.76 KMT2A (0.49) LMNACCR2
SCHEMBL9050331 0.74 PTGDR2 (0.42) CCR2
SCHEMBL9049502 0.74 MAPT (0.43) LMNAGAAMAPTHTTSMN1; SMN2
SCHEMBL11266983 0.74 CCR2 (0.53) LMNAGAAMAPTHTTSMN1; SMN2
SCHEMBL11260693 0.72 APEX1 (0.62) LMNAGAAMAPTHTTSMN1; SMN2
SCHEMBL13811595 0.70 MEN1 (0.51) MAPTHTTSMN1; SMN2
SCHEMBL9049601 0.68 LMNA (0.49) LMNAGAAMAPTHTTSMN1; SMN2
SCHEMBL10487872 0.67 CCR2 (0.60) LMNAMAPTCCR2

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
EP-0456835-B1 QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF KYORIN SEIYAKU KK (JP) 1996-05-15 EP disclosed
US-5234928-A Inhibit platelet aggregation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0456835-A1 QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed