SCHEMBL7601778

SCHEMBL7601778

CCC(=O)N(OC)c1ccccc1CBr

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
TSPO P30536 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3567302 0.84 CES2 (0.36) ALDH1A1KDM4EMEN1KMT2ATSPO
SCHEMBL1461137 0.83 ALDH1A1 (0.36) ALDH1A1KDM4EMEN1KMT2ATSPO
SCHEMBL7602423 0.80 KDM4E (0.33) ALDH1A1KDM4EMEN1KMT2ABCHE
SCHEMBL7601779 0.80 CYP2C19 (0.33) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL8636800 0.79 ALDH1A1 (0.34) TP53ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7601412 0.79 ALDH1A1 (0.44) TP53ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7602732 0.76 RXRA (0.43) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL9475083 0.73 TP53 (0.50) TP53ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10061323 0.72 PTGER1 (0.37) TP53ALDH1A1MEN1KMT2ALMNA
SCHEMBL8174632 0.72 LMNA (0.39) TP53ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624155-B2 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF AG (DE) 2002-12-11 EP disclosed
US-6075148-A CARBAMATE DERIVATIVES ARE USEFUL FOR CONTROLLING FUNGI, INSECTS, NEMATODES AND SPIDER MITES BASF AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed
US-5981532-A FOR CONTROLLING FUNGI, INSECTS, NEMATODES AND SPIDER MITES BASF AKTIENGESELLSCHAFT (DE) 1999-11-09 US disclosed
US-5824705-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-20 US disclosed
EP-0624155-B1 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF AG (DE) 1998-05-06 EP disclosed
EP-0624155-A1 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1994-11-17 EP disclosed
WO-1993015046-A1 CARBAMATES AND PLANT-PROTECTING AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-08-05 WO disclosed