SCHEMBL8947333

SCHEMBL8947333

Cc1ccc(-c2nnnn2CC(=O)O)cc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
HPGD P15428 1/20 0.65
POLB P06746 2/20 0.44
PKM P14618 1/20 0.42
HSD11B1 P28845 4/20 0.42
KDM4C Q9H3R0 1/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MCL1 Q07820 1/20 0.39
NPC1 O15118 1/20 0.39

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 0.86 ALDH1A1 (0.84) ALDH1A1HPGDPOLBHSD11B1KDM4C
SCHEMBL8947122 0.85 ALDH1A1 (0.47) ALDH1A1HPGDPOLBPKMHSD11B1
SCHEMBL8947334 0.84 ALDH1A1 (0.56) ALDH1A1HPGDPOLBRECQLLMNA
SCHEMBL5966727 0.83 ALDH1A1 (0.75) ALDH1A1HPGDPOLBHSD11B1KDM4C
SCHEMBL8947275 0.82 ALDH1A1 (0.61) ALDH1A1HPGDPOLBHSD11B1KDM4C
SCHEMBL8947235 0.81 ALDH1A1 (0.59) ALDH1A1HPGDPOLBPKMHSD11B1
SCHEMBL8947259 0.80 ALDH1A1 (0.61) ALDH1A1HPGDPOLBHSD11B1KDM4C
SCHEMBL8947281 0.80 ALDH1A1 (0.75) ALDH1A1HPGDPOLBHSD11B1KDM4C
SCHEMBL8947261 0.80 ALDH1A1 (0.75) ALDH1A1HPGDPOLBHSD11B1KDM4C
SCHEMBL9469451 0.80 ALDH1A1 (0.62) ALDH1A1HPGDPOLBHSD11B1KDM4C

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