SCHEMBL9699657

SCHEMBL9699657

CCO[Si](OCC)(OCC)C(C)CCCCCCCCCCCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.39
DNM1 Q05193 9/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.36
OPRM1 P35372 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
LMNA P02545 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
SCHEMBL9698378 1.00 CPB2 (0.39) CPB2DNM1TSHRMEN1KMT2A
SCHEMBL9698396 1.00 CPB2 (0.39) CPB2DNM1TSHRMEN1KMT2A
SCHEMBL9697340 0.98 CPB2 (0.36) CPB2DNM1TSHRMEN1KMT2A
SCHEMBL27936332 0.92 HTR2A (0.30) CPB2OPRM1
SCHEMBL23521400 0.83 OPRM1 (0.44) DNM1TSHROPRM1LMNA
SCHEMBL3642485 0.83 OPRM1 (0.44) DNM1TSHROPRM1LMNA
SCHEMBL27844003 0.83 OPRM1 (0.44) DNM1TSHROPRM1LMNA
SCHEMBL7160180 0.83 OPRM1 (0.44) DNM1TSHROPRM1LMNA
SCHEMBL3231925 0.83 GABRR1 (0.30)
SCHEMBL9698876 0.82 CPB2 (0.38) CPB2DNM1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0498458-A2 Novel aminoalkyl alkoxy silane compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-08-12 EP disclosed