SCHEMBL5859665

SCHEMBL5859665

CCC(N)NCCCCNC(N)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
CNR1 P21554 1/20 0.31
ADRA1A P35348 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL6722236 0.97 EPHX1 (0.32)
SCHEMBL3164534 0.97 EPHX1 (0.32)
SCHEMBL5859882 0.94 LMNA (0.31) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL3450949 0.90 EPHX1 (0.44) ALDH1A1TSHRDPP7
SCHEMBL7176943 0.90 EPHX1 (0.44) ALDH1A1TSHRDPP7
SCHEMBL10657278 0.90 EPHX1 (0.44) ALDH1A1TSHRDPP7
SCHEMBL3449630 0.90 EPHX1 (0.44) ALDH1A1TSHRDPP7
SCHEMBL831200 0.90 EPHX1 (0.44) ALDH1A1TSHRDPP7
SCHEMBL7176165 0.90 EPHX1 (0.44) ALDH1A1TSHRDPP7
SCHEMBL3450266 0.90 EPHX1 (0.44) ALDH1A1TSHRDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009055823-A2 METHOD TO PREDICT RESPONSIVENESS OF BREAST CANCER TO POLYAMINETYPE CHEMOTHERAPY PROGEN PHARMACEUTICALS LIMITED (US) 2009-04-30 WO disclosed
US-7094853-B2 Crosslinked polymer, method for manufacturing it and use thereof NIPPON SHOKUBAI CO., LTD. (JP) 2006-08-22 US disclosed
US-20040087727-A1 Crosslinked polymer, method for manufacturing it and use thereof NIPPON SHOKUBAI CO., LTD. 2004-05-06 US disclosed
US-6673890-B1 DETERGENTS, DISPERSANTS BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US disclosed
EP-1198492-B1 ZWITTERIONIC POLYAMINES AND A PROCESS FOR THEIR PRODUCTION BASF AG (DE) 2003-10-08 EP disclosed
US-5059391-A USE OF POLYARALKYLAMINES AS CORROSION INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-10-22 US disclosed