SCHEMBL6624847

SCHEMBL6624847

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
S100A4 P26447 1/20 0.42
GAA P10253 2/20 0.40
GLA P06280 1/20 0.40
BRD4 O60885 3/20 0.39
PARP1 P09874 2/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 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
SCHEMBL6624985 0.84 ALDH1A1 (0.42) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6624071 0.83 BRD4 (0.48) KDM4EALDH1A1HPGDGAABRD4
SCHEMBL6625269 0.80 HTT (0.46) KDM4EALDH1A1HPGDGAABRD4
SCHEMBL8218858 0.80 PARP1 (0.41) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6623859 0.80 PARP1 (0.41) KDM4EALDH1A1HPGDGAABRD4
SCHEMBL6628897 0.80 PARP1 (0.41) KDM4EALDH1A1HPGDGAABRD4
SCHEMBL6623305 0.78 HSD11B1 (0.45) KDM4EALDH1A1HPGDGAABRD4
SCHEMBL6623102 0.77 KDM4E (0.50) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL6627070 0.77 BRD4 (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6623944 0.75 PARP1 (0.46) KDM4EALDH1A1HPGDBRD4PARP1

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