SCHEMBL9568787

SCHEMBL9568787

CC(=O)On1nnnc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.46
PTGS2 P35354 2/20 0.46
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
MGLL Q99685 1/20 0.45
HTT P42858 2/20 0.44
POLB P06746 1/20 0.44
HDAC6 Q9UBN7 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.38
PIN1 Q13526 1/20 0.38
CYP19A1 P11511 1/20 0.38

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
SCHEMBL9568794 0.86 ALDH1A1 (0.51) HSD11B1PTGS2ALDH1A1MGLLCYP1A2
SCHEMBL8791363 0.84 NQO2 (0.42) HSD11B1PTGS2ALDH1A1TSHRMGLL
SCHEMBL9469455 0.82 OGT (0.41) HSD11B1ALDH1A1TSHRMGLLHTT
SCHEMBL9568762 0.81 POLB (0.51) PTGS2ALDH1A1HTTPOLBCYP1A2
SCHEMBL7114830 0.80 BRD4 (0.40) PTGS2MGLLHSD17B10KMT2AALOX15
SCHEMBL9568852 0.79 HSD11B1 (0.50) HSD11B1PTGS2ALDH1A1HSD17B10
SCHEMBL7107743 0.79 ALDH1A1 (0.50) PTGS2ALDH1A1TSHRHTTPOLB
SCHEMBL9542013 0.78 TSHR (0.46) HSD11B1ALDH1A1TSHRHTTPOLB
SCHEMBL8790766 0.77 KMT2A (0.48) ALDH1A1TSHRHDAC6CYP1A2HSD17B10
SCHEMBL8791403 0.77 ALDH1A1 (0.49) ALDH1A1TSHRHTTCYP1A2LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5262433-A Antidiabetic agents WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed