SCHEMBL8947235

SCHEMBL8947235

COc1ccc(-c2nnnn2CC(=O)O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
HPGD P15428 3/20 0.59
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
PDE4B Q07343 2/20 0.48
PDE4A P27815 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD11B1 P28845 1/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PKM P14618 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL8947266 0.88 ALDH1A1 (0.48) ALDH1A1HPGDNPC1POLBSMN1; SMN2
SCHEMBL8947137 0.85 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD11B1MAPT
SCHEMBL5966725 0.82 ALDH1A1 (0.68) ALDH1A1HPGDNPC1SMN1; SMN2HSD11B1
SCHEMBL8947141 0.82 ALDH1A1 (0.53) ALDH1A1HPGDPDE4BLMNA
SCHEMBL8947331 0.81 ALDH1A1 (0.84) ALDH1A1HPGDPOLBHSD11B1LMNA
SCHEMBL8947333 0.81 ALDH1A1 (0.65) ALDH1A1HPGDNPC1POLBSMN1; SMN2
SCHEMBL8947238 0.81 RECQL (0.60) ALDH1A1HPGDNPC1POLBSMN1; SMN2
SCHEMBL5966727 0.79 ALDH1A1 (0.75) ALDH1A1HPGDNPC1POLBHSD11B1
SCHEMBL8947275 0.78 ALDH1A1 (0.61) ALDH1A1HPGDPOLBHSD11B1MAPT
SCHEMBL8947261 0.76 ALDH1A1 (0.75) ALDH1A1HPGDPOLBHSD11B1HTT

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