SCHEMBL21363351

SCHEMBL21363351

O=C(CCCCCCCSSCCCCCCCC(=O)ON1C(=O)CCC1=O)NCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.38
ALDH1A1 P00352 7/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ITPR1 Q14643 1/20 0.36
KDM4E B2RXH2 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TERT O14746 2/20 0.33
P2RX7 Q99572 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
MAPT P10636 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC3 O15379 1/20 0.31
LTA4H P09960 1/20 0.31
HDAC4 P56524 1/20 0.31

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
SCHEMBL21363354 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EGAAHTT
SCHEMBL3491065 0.81 KMT2A (0.54) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL19328246 0.80 KMT2A (0.55) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL388103 0.80 KMT2A (0.58) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29367875 0.80 KMT2A (0.58) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21363738 0.79 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2MEN1KMT2AITPR1
SCHEMBL21363334 0.78 KDM4E (0.42) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL23824231 0.77 KMT2A (0.54) FAAHALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1804142 0.77 KMT2A (0.52) FAAHALDH1A1MEN1KMT2AITPR1
SCHEMBL21363550 0.76 KDM4E (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AITPR1

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
US-20190285576-A1 SEMICONDUCTOR SENSOR, METHOD FOR PRODUCING THE SAME, AND COMBINED SENSOR TORAY INDUSTRIES, INC. (JP) 2019-09-19 US disclosed