SCHEMBL11801974

SCHEMBL11801974

CCN(CC)CC(=O)c1ccc2c(c1)Cc1cc(C(=O)CN(CC)CC)ccc1O2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ AGTR1 P30556 1/20 0.48
▸ HPGD P15428 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ CTNNB1 P35222 9/20 0.38
▸ WNT3A P56704 7/20 0.38
▸ PARP1 P09874 1/20 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
▸ GAA P10253 1/20 0.35
▸ PPARG P37231 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
SCHEMBL11801251 0.95 ALDH1A1 (0.43) MAPTALDH1A1KDM4EAGTR1HPGD
SCHEMBL11733570 0.87 HPGD (0.44) HPGDATMCTNNB1WNT3APKM
SCHEMBL11794930 0.85 ALDH1A1 (0.45) MAPTALDH1A1KDM4EHPGDATM
Hydrochloric Acid SCHEMBL11845401 0.85 HPGD (0.43) MAPTALDH1A1HPGDATMCTNNB1
SCHEMBL11729358 0.85 L3MBTL1 (0.43) MAPTALDH1A1KDM4EHPGDATM
Hydrochloric Acid SCHEMBL11797777 0.84 ALDH1A1 (0.44) MAPTALDH1A1KDM4EHPGDATM
SCHEMBL11832428 0.83 HPGD (0.42) MAPTALDH1A1KDM4EHPGDATM
SCHEMBL11680467 0.83 MAPT (0.54) MAPTALDH1A1KDM4EAGTR1PARP1
SCHEMBL11836659 0.82 HPGD (0.44) ALDH1A1KDM4EHPGDATMCTNNB1
Hydrochloric Acid SCHEMBL6379054 0.82 ALDH1A1 (0.43) MAPTALDH1A1KDM4EHPGDATM

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

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