SCHEMBL28116861

SCHEMBL28116861

CCC(=O)c1ccccc1-c1cccc(CC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.49
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
PDK2 Q15119 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
IDO1 P14902 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A2 P23975 1/20 0.40

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
SCHEMBL28116797 0.88 CFD (0.44) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL18414391 0.86 BCL2 (0.58) BCL2PTGS2ALDH1A1MEN1KMT2A
SCHEMBL1515920 0.86 BCL2 (0.50) BCL2PTGS2ALDH1A1MEN1KMT2A
SCHEMBL8820693 0.85 HTR7 (0.58) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL21357017 0.84 BCAT2 (0.59) BCL2PTGS2ALDH1A1MEN1KMT2A
SCHEMBL9696125 0.83 HSP90AB1 (0.49) MEN1KMT2APDK2SMN1; SMN2MAPT
SCHEMBL28116436 0.82 LTB4R2 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL30505632 0.81 BCAT2 (0.57) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL3420505 0.81 BCAT2 (0.57) ALDH1A1MEN1KMT2ACHRNB2CHRNB4
SCHEMBL28837363 0.81 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APDK2SMN1; SMN2

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-106547168-A A kind of black-matrix material compositionss and application 深圳市华星光电技术有限公司 2017-03-29 CN disclosed