SCHEMBL8947265

SCHEMBL8947265

CC(C)(C)c1ccc(-c2nnnn2CC(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
HPGD P15428 1/20 0.68
TP53 P04637 1/20 0.51
NR1H4 Q96RI1 4/20 0.47
HSD11B1 P28845 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
HDAC6 Q9UBN7 1/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41
KDM4C Q9H3R0 1/20 0.41

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
SCHEMBL8947331 0.88 ALDH1A1 (0.84) ALDH1A1HPGDHSD11B1HDAC6POLB
SCHEMBL5966727 0.85 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1HDAC6POLB
SCHEMBL8947143 0.85 TRPV1 (0.49) ALDH1A1HPGDTP53HSD11B1SMN1; SMN2
SCHEMBL8947281 0.82 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1HDAC6POLB
SCHEMBL8947261 0.82 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1HDAC6POLB
SCHEMBL5966693 0.82 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1HDAC6POLB
SCHEMBL8947199 0.81 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1HDAC6POLB
SCHEMBL8947260 0.81 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1HDAC6POLB
SCHEMBL8947164 0.81 ALDH1A1 (1.00) ALDH1A1HPGDHSD11B1HDAC6POLB
SCHEMBL8947183 0.81 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1HDAC6POLB

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