SCHEMBL8947259

SCHEMBL8947259

Cc1cc(C)cc(-c2nnnn2CC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HPGD P15428 1/20 0.61
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.42
HSD11B1 P28845 4/20 0.41
KDM4C Q9H3R0 1/20 0.41
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 2/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL8947275 0.86 ALDH1A1 (0.61) ALDH1A1HPGDCYP1A2HSD11B1KDM4C
SCHEMBL5966727 0.84 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CRAB9A
SCHEMBL8947195 0.83 TRPV1 (0.44) ALDH1A1HPGDLMNACYP1A2HSD11B1
SCHEMBL8947331 0.83 ALDH1A1 (0.84) ALDH1A1HPGDLMNAHSD11B1KDM4C
SCHEMBL8947333 0.80 ALDH1A1 (0.65) ALDH1A1HPGDLMNACYP1A2HSD11B1
SCHEMBL5966693 0.80 ALDH1A1 (0.74) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL8947341 0.80 ALDH1A1 (0.53) ALDH1A1HPGDLMNACYP1A2SMN1; SMN2
SCHEMBL8947137 0.80 ALDH1A1 (0.53) ALDH1A1HPGDLMNAHSD11B1KDM4C
SCHEMBL8947199 0.79 ALDH1A1 (0.73) ALDH1A1HPGDHSD11B1KDM4CHDAC6
SCHEMBL8947261 0.77 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CHDAC6

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