SCHEMBL28062833

SCHEMBL28062833

CCCCO[Si](C)(OCCCC)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
FAAH O00519 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX7 Q99572 1/20 0.36
PTGER1 P34995 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
EPHX2 P34913 2/20 0.35
EPHX1 P07099 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TLR8 Q9NR97 1/20 0.35

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
SCHEMBL28062861 0.90 KMT2A (0.39) KMT2APTGER1ALDH1A1CYP1A2CYP2C9
SCHEMBL17937656 0.87 KMT2A (0.43) KMT2AFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL17937845 0.85 KMT2A (0.44) KMT2AFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL28062714 0.83 CYP3A4 (0.35) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL28062721 0.83 KMT2A (0.42) KMT2AFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL17937793 0.83 KMT2A (0.42) KMT2AFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL17937825 0.81 KMT2A (0.41) KMT2AFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL17937662 0.81 KMT2A (0.41) KMT2AFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL28062836 0.81 KMT2A (0.41) KMT2AFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL28062814 0.81 EGFR (0.42) NPC1SMN1; SMN2ALDH1A1HPGDCYP1A2

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
CN-105555901-A Polishing composition FUJIMI INC 2016-05-04 CN disclosed