SCHEMBL8947215

SCHEMBL8947215

COC(=O)Cn1nnnc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.56
HSD11B1 P28845 2/20 0.55
TRPV1 Q8NER1 1/20 0.53
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
CYP1A2 P05177 1/20 0.47
GAA P10253 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 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
SCHEMBL8947310 0.90 TRPV1 (0.63) HSD11B1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL5966689 0.90 TRPV1 (0.59) HSD11B1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL8947317 0.88 ALDH1A1 (0.57) HSD11B1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL8947140 0.87 HSD11B1 (0.59) HSD11B1TRPV1ALDH1A1HPGDHTT
SCHEMBL8947299 0.87 ALDH1A1 (0.66) MGLLHSD11B1ALDH1A1HPGDHTT
SCHEMBL8947240 0.84 ALDH1A1 (0.54) HSD11B1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL8947149 0.82 ALDH1A1 (0.51) HSD11B1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL8947311 0.82 ALDH1A1 (0.57) HSD11B1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL8947278 0.82 ALDH1A1 (0.70) HSD11B1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL8947125 0.81 L3MBTL1 (0.48) HSD11B1TRPV1ALDH1A1HPGD

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