SCHEMBL11801251

SCHEMBL11801251

CCN(CC)CC(=O)c1ccc2c(c1)Cc1ccc(C(=O)CN(CC)CC)cc1O2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ ATM Q13315 1/20 0.40
▸ CTNNB1 P35222 7/20 0.37
▸ WNT3A P56704 5/20 0.37
▸ PKM P14618 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PARP1 P09874 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL11801974 0.95 MAPT (0.48) ALDH1A1MAPTKDM4EAGTR1HPGD
SCHEMBL11836659 0.88 HPGD (0.44) ALDH1A1KDM4EHPGDATMCTNNB1
SCHEMBL11733570 0.82 HPGD (0.44) HPGDATMCTNNB1WNT3APKM
SCHEMBL11680467 0.82 MAPT (0.54) ALDH1A1MAPTKDM4EAGTR1NPC1
SCHEMBL11794930 0.80 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EHPGDATM
Hydrochloric Acid SCHEMBL11680343 0.80 MAPT (0.53) ALDH1A1MAPTKDM4EAGTR1NPC1
Hydrochloric Acid SCHEMBL11845401 0.80 HPGD (0.43) ALDH1A1MAPTHPGDATMCTNNB1
SCHEMBL11729358 0.80 L3MBTL1 (0.43) ALDH1A1MAPTKDM4EHPGDATM
Hydrochloric Acid SCHEMBL11797777 0.79 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDATM
SCHEMBL11832428 0.79 HPGD (0.42) ALDH1A1MAPTKDM4EHPGDATM

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
US-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
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