SCHEMBL11729358

SCHEMBL11729358

CCN(CC)CCCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCCN(CC)CC)ccc1O2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ATM Q13315 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ CTNNB1 P35222 3/20 0.38
▸ WNT3A P56704 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KLF5 Q13887 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37

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
SCHEMBL11832428 0.96 HPGD (0.42) L3MBTL1HPGDALDH1A1KDM4EATM
SCHEMBL11733570 0.92 HPGD (0.44) HPGDATMCTNNB1WNT3A
Hydrochloric Acid SCHEMBL11845401 0.89 HPGD (0.43) HPGDALDH1A1ATMCTNNB1WNT3A
SCHEMBL11836659 0.87 HPGD (0.44) HPGDALDH1A1KDM4EATMCTNNB1
SCHEMBL11801974 0.85 MAPT (0.48) HPGDALDH1A1KDM4EATMCTNNB1
SCHEMBL11677381 0.85 RAB9A (0.50) L3MBTL1KDM4ESLC6A4MAPT
SCHEMBL11732446 0.83 CTNNB1 (0.36) L3MBTL1HPGDALDH1A1KDM4ESLC6A4
SCHEMBL11797748 0.82 SLC6A4 (0.46) L3MBTL1HPGDALDH1A1KDM4ESLC6A4
SCHEMBL11730448 0.81 L3MBTL1 (0.43) L3MBTL1SLC6A4LMNATP53MAPT
SCHEMBL11678301 0.81 L3MBTL1 (0.49) L3MBTL1KDM4EMAPT

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 4 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-4008240-A VIRICIDE RICHARDSON-MERRELL INC. (US) 1977-02-15 — — US disclosed
US-3957989-A ADMINISTERING RICHARDSON-MERRELL INC. (US) 1976-05-18 — — US disclosed
US-3953602-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-04-27 — — US disclosed
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