SCHEMBL8947299

SCHEMBL8947299

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

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.66
HPGD P15428 1/20 0.66
MGLL Q99685 3/20 0.57
KDM4C Q9H3R0 1/20 0.56
HSD11B1 P28845 2/20 0.53
POLB P06746 1/20 0.48
HTT P42858 1/20 0.48
HDAC6 Q9UBN7 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
SCHEMBL8947215 0.87 MGLL (0.56) ALDH1A1HPGDMGLLHSD11B1POLB
SCHEMBL8947261 0.87 ALDH1A1 (0.75) ALDH1A1HPGDKDM4CHSD11B1POLB
SCHEMBL5966693 0.87 ALDH1A1 (0.74) ALDH1A1HPGDKDM4CHSD11B1POLB
SCHEMBL8947331 0.87 ALDH1A1 (0.84) ALDH1A1HPGDKDM4CHSD11B1POLB
SCHEMBL5966725 0.84 ALDH1A1 (0.68) ALDH1A1HPGDKDM4CHSD11B1HTT
SCHEMBL5966727 0.81 ALDH1A1 (0.75) ALDH1A1HPGDKDM4CHSD11B1POLB
SCHEMBL8947281 0.81 ALDH1A1 (0.75) ALDH1A1HPGDKDM4CHSD11B1POLB
SCHEMBL9469451 0.81 ALDH1A1 (0.62) ALDH1A1HPGDKDM4CHSD11B1POLB
SCHEMBL8947248 0.80 ALDH1A1 (0.61) ALDH1A1HPGDKDM4CHSD11B1
SCHEMBL8947260 0.80 ALDH1A1 (0.73) ALDH1A1HPGDKDM4CHSD11B1POLB

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