SCHEMBL9850317

SCHEMBL9850317

CC(N)C(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.62
HSD17B10 Q99714 7/20 0.62
HPGD P15428 5/20 0.62
ALDH1A1 P00352 7/20 0.61
ESR1 P03372 1/20 0.61
ITGB3 P05106 1/20 0.61
ITGA2B P08514 1/20 0.61
HMGB1 P09429 1/20 0.61
TSHR P16473 1/20 0.61
GGT1 P19440 1/20 0.61
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
BLM P54132 1/20 0.61
NAPRT Q6XQN6 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
MAPT P10636 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL9850320 1.00 KDM4E (0.62) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL19625924 1.00 KDM4E (0.62) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL2854249 0.86 KMT2A (0.50) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL27999260 0.86 IRAK4 (0.62) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL7870130 0.86 KDM4E (0.45) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL1914531 0.86 KDM4E (0.66) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL2588916 0.85 ELANE (0.59) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL15441430 0.84 KDM4E (0.64) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL12715457 0.84 KDM4E (0.64) KDM4EHSD17B10HPGDALDH1A1ESR1
SCHEMBL22374224 0.83 KDM4E (0.62) KDM4EHSD17B10HPGDALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409066-A2 Optically active compound for liquid crystal and its use MITSUBISHI RAYON COMPANY, LTD. (JP) 1991-01-23 EP disclosed