SCHEMBL8947137

SCHEMBL8947137

COc1cc(-c2nnnn2CC(=O)O)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
HPGD P15428 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.42
HSD11B1 P28845 2/20 0.41
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40
TUBA1A Q71U36 2/20 0.40
TUBA1C Q9BQE3 2/20 0.40

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
SCHEMBL8947118 0.88 KDM4E (0.42) ALDH1A1HPGDSMN1; SMN2KDM4ETP53
SCHEMBL8947235 0.85 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL8947174 0.83 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2LMNAHSD11B1
SCHEMBL8947259 0.80 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2LMNAHSD11B1
SCHEMBL5966725 0.78 ALDH1A1 (0.68) ALDH1A1HPGDSMN1; SMN2LMNAHSD11B1
SCHEMBL8947238 0.76 RECQL (0.60) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL8947331 0.76 ALDH1A1 (0.84) ALDH1A1HPGDLMNAHSD11B1KDM4C
SCHEMBL17211730 0.74 KDM4E (0.67) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E
SCHEMBL5966727 0.74 ALDH1A1 (0.75) ALDH1A1HPGDKDM4EMAPTHSD11B1
SCHEMBL8947266 0.74 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2LMNAKDM4E

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