SCHEMBL8947238

SCHEMBL8947238

COc1cccc(-c2nnnn2CC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
ALDH1A1 P00352 5/20 0.54
HPGD P15428 3/20 0.54
RAB9A P51151 4/20 0.54
MAPT P10636 3/20 0.54
TSHR P16473 3/20 0.54
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 1/20 0.52
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 1/20 0.51
HSD11B1 P28845 2/20 0.50
KDM4C Q9H3R0 1/20 0.49
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.45
POLB P06746 1/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45

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
SCHEMBL8947295 0.89 TSHR (0.61) RECQLALDH1A1HPGDRAB9AMAPT
SCHEMBL8947275 0.85 ALDH1A1 (0.61) RECQLALDH1A1HPGDMAPTHSD11B1
SCHEMBL5966725 0.84 ALDH1A1 (0.68) ALDH1A1HPGDRAB9ATSHRLMNA
SCHEMBL8947235 0.81 ALDH1A1 (0.59) ALDH1A1HPGDMAPTLMNANPC1
SCHEMBL5966693 0.80 ALDH1A1 (0.74) ALDH1A1HPGDTSHRHSD11B1KDM4C
SCHEMBL8947300 0.80 ALDH1A1 (0.70) ALDH1A1HPGDSMN1; SMN2HSD11B1KDM4C
SCHEMBL28781397 0.79 ALDH1A1 (0.53) RECQLALDH1A1HPGDMAPTLMNA
SCHEMBL8947261 0.78 ALDH1A1 (0.75) ALDH1A1HPGDHSD11B1KDM4CKDM4E
SCHEMBL9469451 0.77 ALDH1A1 (0.62) ALDH1A1HPGDLMNAHSD11B1KDM4C
SCHEMBL8947299 0.77 ALDH1A1 (0.66) ALDH1A1HPGDHSD11B1KDM4CPOLB

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