SCHEMBL7596232

SCHEMBL7596232

CC([NH])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.50
▸ CES2 O00748 2/20 0.42
▸ CES1 P23141 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ ACP3 P15309 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KIF11 P52732 5/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38
▸ ORAI3 Q9BRQ5 1/20 0.38
▸ TRPV6 Q9H1D0 1/20 0.38
▸ MGLL Q99685 1/20 0.38
▸ HSD11B1 P28845 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
SCHEMBL84043 0.80 PDE2A (0.53) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL7438101 0.78 PDE2A (0.52) PDE2ACES2CES1ALDH1A1ACP3
Ammonia Solution, Strong SCHEMBL27642816 0.78 PDE2A (0.52) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL12086293 0.76 PDE2A (0.50) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL22899446 0.76 PDE2A (0.55) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL991083 0.76 PTPN5 (0.55) PDE2ACES2CES1ACP3KIF11
SCHEMBL268077 0.76 PDE2A (0.67) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL19772089 0.76 PDE2A (0.55) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL13328621 0.76 PDE2A (0.50) PDE2ACES2CES1ALDH1A1ACP3
SCHEMBL701658 0.76 PDE2A (0.67) PDE2ACES2CES1ALDH1A1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976760-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2002-12-18 — — EP claimed
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 — — US claimed
EP-0652229-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2000-05-24 — — EP claimed
EP-0976760-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 2000-02-02 — — EP claimed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 — — EP claimed
EP-0976760-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2002-12-18 — — EP disclosed
US-6084065-A FOR AGRICULTURAL USE ISAGRO SPA (IT) 2000-07-04 — — US disclosed
EP-0652229-B1 Oligopeptides with fungicidal activity ISAGRO SPA (IT) 2000-05-24 — — EP disclosed
EP-0976760-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 2000-02-02 — — EP disclosed
EP-0652229-A2 Oligopeptides with fungicidal activity ISAGRO S.p.A. (IT) 1995-05-10 — — EP disclosed
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