SCHEMBL8947313

SCHEMBL8947313

CCCCOC(=O)C(=O)Nc1cccc(-c2nnnn2CC(=O)OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.41
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39
CCR3 P51677 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL8947128 0.75 MAPK1 (0.53) POLBHPGDCYP1A2CYP2C9CYP2C19
Tazanolast SCHEMBL28495 0.75 HPGD (0.45) MAPTHPGDRAB9ACYP1A2CYP2C9
SCHEMBL8947294 0.74 MAPK1 (0.61) POLBHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL8947360 0.73 ALDH1A1 (0.52) HPGDRAB9ACYP1A2CYP2C9CYP2C19
Tazanolast SCHEMBL1651344 0.72 MAPT (0.61) MAPTPOLBHPGDRAB9ACYP2C9
SCHEMBL8118104 0.71 MAPK1 (0.53) MAPTPOLBHPGDSMN1; SMN2MAPK1
SCHEMBL8947277 0.70 TRPV1 (0.50) HPGDCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11647389 0.70 HPGD (0.76) MAPTHPGDRAB9ACYP1A2CYP2C9
SCHEMBL8947184 0.70 LMNA (0.48) HPGDCYP1A2CYP2C19SMN1; SMN2LMNA
SCHEMBL9568775 0.69 NPSR1 (0.50) MAPTHPGDMAPK1TSHR

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
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed