SCHEMBL6624985

SCHEMBL6624985

COC(=O)COc1ccc2c3c(c(-c4ccccc4)[nH]c13)CCC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
POLB P06746 2/20 0.36
MPO P05164 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.35
PLA2G2A P14555 2/20 0.35
HPGD P15428 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
PTGDR Q13258 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
BRD4 O60885 1/20 0.34

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
SCHEMBL6624847 0.84 KDM4E (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6624708 0.78 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8218858 0.75 PARP1 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6624071 0.75 BRD4 (0.48) ALDH1A1KDM4EMAPTPOLBHPGD
SCHEMBL6628897 0.73 PARP1 (0.41) ALDH1A1KDM4EHPGDHSD17B10BRD4
SCHEMBL6623859 0.73 PARP1 (0.41) ALDH1A1KDM4EHPGDHSD17B10BRD4
SCHEMBL6625269 0.73 HTT (0.46) ALDH1A1KDM4EMAPTHTTHPGD
SCHEMBL7387395 0.71 ABCB1 (0.49) ALDH1A1KDM4EDDB1CRBNHTT
SCHEMBL6623305 0.71 HSD11B1 (0.45) ALDH1A1KDM4EHPGDTSHRBRD4
SCHEMBL6624149 0.67 PTGDR2 (0.39) MEN1KMT2ADDB1CRBNPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858996-B1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARM CO LTD (JP) 2004-10-27 EP disclosed
US-6040331-A Nerve cell protective agents MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-21 US disclosed
EP-0858996-A1 NERVE CELL PROTECTIVE AGENTS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed