SCHEMBL7002353

SCHEMBL7002353

[CH2]C(CCNC(C)CC)NCCCC

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL7524746 0.87 ALDH1A1 (0.33) ALDH1A1
SCHEMBL270259 0.83
Hydrochloric Acid SCHEMBL22575326 0.81 KDM4E (0.41) KDM4EALDH1A1HTTPOLBTDP1
SCHEMBL24596012 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HTTPOLBTDP1
SCHEMBL5244122 0.77
SCHEMBL7774986 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HTTPOLBTDP1
Hydrochloric Acid SCHEMBL22771630 0.74 KDM4E (0.44) KDM4EALDH1A1HTTPOLBTDP1
SCHEMBL24508589 0.74 EPHX1 (0.46) KDM4EALDH1A1HTT
SCHEMBL21808586 0.74 EPHX1 (0.46) KDM4EALDH1A1HTT
SCHEMBL25122655 0.74 EPHX1 (0.46) KDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315733-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-06-04 EP disclosed
EP-1237879-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP disclosed
EP-1187820-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
EP-1187819-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2002-03-20 EP disclosed
WO-2002020531-A2 METHOD FOR PRODUCING ANELLATED TETRAHYDRO-[1H]-TRIAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
WO-2001044204-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-06-21 WO disclosed
WO-2001000602-A1 SUBSTITUTED UREAS BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2001000600-A1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed