SCHEMBL22225985

SCHEMBL22225985

COc1c(C(=O)O)ccc2c1OCCN2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
AR P10275 1/20 0.34
RET P07949 1/20 0.34
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
ACLY P53396 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
KCNA3 P22001 1/20 0.32
CYP2A6 P11509 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL24100076 0.87 KDM4E (0.38) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL22207633 0.81 HPGD (0.48) KDM4EALDH1A1HSD17B10LMNAGAA
SCHEMBL15962081 0.79 SELL (0.39) KDM4EALDH1A1HSD17B10MAPTTDP1
SCHEMBL22225989 0.78 AR (0.36) KDM4EALDH1A1HSD17B10MAPTAR
SCHEMBL1340046 0.74 ALOX5 (0.40) KDM4EALDH1A1HSD17B10MAPTTDP1
SCHEMBL7318609 0.74 HSD17B10 (0.36) KDM4EALDH1A1HSD17B10LMNAPOLB
SCHEMBL30874417 0.73 ABL1 (0.37) KDM4EALDH1A1HSD17B10LMNAAR
SCHEMBL24099704 0.73 ABL1 (0.37) KDM4EALDH1A1HSD17B10LMNAAR
SCHEMBL27435302 0.71 ALDH1A1 (0.44) KDM4EALDH1A1HSD17B10LMNAMAPT
SCHEMBL28947224 0.70 KDM4E (0.36) KDM4EALDH1A1HSD17B10LMNAMAPT

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
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 WO disclosed