SCHEMBL6624708

SCHEMBL6624708

COC(=O)COc1ccc2c3c(c(-c4ccccc4)[nH]c13)CCC2N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ACHE P22303 2/20 0.38
CYP2C9 P11712 1/20 0.38
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
PLA2G2A P14555 6/20 0.35
PKM P14618 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 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
SCHEMBL6624149 0.90 PTGDR2 (0.39) MEN1KMT2ADDB1CRBNACHE
SCHEMBL6624107 0.84 TUBB4A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6623449 0.83 LMNA (0.37) ALDH1A1KDM4EMEN1KMT2AACHE
Hydrochloric Acid SCHEMBL6623609 0.83 TUBB4A (0.40) ACHETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6624985 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL6625430 0.76 BRD4 (0.37) ALDH1A1KDM4EMAPT
SCHEMBL6623596 0.73 ANPEP (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6622924 0.73 HTR2A (0.38)
SCHEMBL6623857 0.73 HTT (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6623435 0.72 HSD11B1 (0.38)

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