SCHEMBL9801827

SCHEMBL9801827

NCCCCCCC(O)OCCCN

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
DNM1 Q05193 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
GSR P00390 1/20 0.35
CPB2 Q96IY4 3/20 0.35
ODC1 P11926 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
TRPA1 O75762 1/20 0.34

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
SCHEMBL8346718 0.86 DNM1 (0.48) DNM1TSHRTLR2
SCHEMBL21886516 0.86 DNM1 (0.48) DNM1TSHRTLR2
SCHEMBL21077423 0.83 CYP3A4 (0.47) DNM1TSHRTLR2
SCHEMBL11547346 0.82 TLR2 (0.50) DNM1TSHRTLR2
SCHEMBL27815868 0.80 CPB2 (0.44) DNM1TSHRCPB2TRPV1TRPA1
SCHEMBL27794702 0.80 CPB2 (0.44) DNM1TSHRCPB2TRPV1TRPA1
SCHEMBL13639464 0.80 CPB2 (0.44) DNM1TSHRCPB2TRPV1TRPA1
SCHEMBL2441541 0.76
SCHEMBL24094121 0.75 LMNA (0.42) LMNATSHRBLMGSRRNPEP
SCHEMBL11879346 0.75 DNM1 (0.46) DNM1TSHRTLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175907-B1 PROCESS FOR MANUFACTURING MOULDED OBJECTS BAYER AG (DE) 1991-03-13 EP disclosed
EP-0175907-A2 Process for manufacturing moulded objects BAYER AG (DE) 1986-04-02 EP disclosed
US-3947484-A Continuous prephosgenation process for the production of organic isocyanates BAYER AKTIENGESELLSCHAFT (DT) 1976-03-30 US disclosed