SCHEMBL9329178

SCHEMBL9329178

CCC(=O)Oc1c(OC)cc(C=O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.50
MAPK1 P28482 1/20 0.50
FGFR1 P11362 1/20 0.47
VCP P55072 1/20 0.47
HPGD P15428 2/20 0.45
TRIM24 O15164 1/20 0.45
ALDH5A1 P51649 1/20 0.45
ABAT P80404 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
TSHR P16473 1/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 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
SCHEMBL8038069 0.87 ALDH1A1 (0.48) ALDH1A1MAPK1HPGDTRIM24ALDH5A1
SCHEMBL19219009 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1HPGDTRIM24ALDH5A1
SCHEMBL8356454 0.82 TOP2A (0.56) ALDH1A1MAPK1KMT2AHTR1AHTR2C
SCHEMBL7530957 0.81 ACHE (0.52) ALDH1A1FGFR1VCPTDP1KMT2A
SCHEMBL27707958 0.81 LMNA (0.45) ALDH1A1MAPK1KMT2ACYP1A2TUBB4A
SCHEMBL3395431 0.81 TUBB4A (0.62) ALDH1A1MAPK1HPGDTRIM24ALDH5A1
SCHEMBL891572 0.81 FGFR1 (0.65) ALDH1A1FGFR1VCPHPGDTRIM24
SCHEMBL11337985 0.81 ALDH1A1 (0.48) ALDH1A1MAPK1HPGDTRIM24ALDH5A1
SCHEMBL13144674 0.79 ALDH1A1 (0.49) ALDH1A1MAPK1HPGDTRIM24ALDH5A1
SCHEMBL13179877 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1HPGDTRIM24ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375723-B1 SUBSTRATES FOR THE ASSAY OF ENZYMES KING S COLLEGE LONDON (GB) 1994-03-23 EP disclosed
US-5221606-A REAGENT AND KIT FOR ENZYME ASSAY COMPRISING A SUBSTRATE CONSONANT WITH GIVEN ENZYME TO BE ASSAYED KING'S COLLEGE LONDON (GB) 1993-06-22 US disclosed
EP-0375723-A1 SUBSTRATES FOR THE ASSAY OF ENZYMES. KING S COLLEGE LONDON (GB) 1990-07-04 EP disclosed
WO-1989002473-A1 SUBSTRATES FOR THE ASSAY OF ENZYMES KING'S COLLEGE LONDON (GB) 1989-03-23 WO disclosed