SCHEMBL28577704

SCHEMBL28577704

CC(C)COC(=S)c1ccccc1.N#COC(=S)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
XBP1 P17861 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX12 P18054 1/20 0.35
CTSL P07711 3/20 0.33
CTSB P07858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
P2RX4 Q99571 1/20 0.33

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
SCHEMBL6057195 0.88 ALDH1A1 (0.56) ALDH1A1HPGDRAB9ATSHRMAPT
Thiobenzoic Acid SCHEMBL28551961 0.83 ALDH1A1 (0.51) ALDH1A1HPGDRAB9ATSHRMAPT
SCHEMBL28100280 0.81 POLB (0.39) ALDH1A1HPGDTSHRMAPTPOLB
Thiobenzoic Acid SCHEMBL28579085 0.80 ALDH1A1 (0.34) ALDH1A1HPGDRAB9ATSHRMAPT
SCHEMBL14977216 0.79 PDCD1 (0.38) ALDH1A1HPGDRAB9ATSHRMAPT
Thiobenzoic Acid SCHEMBL2772010 0.77 ALDH1A1 (0.36) ALDH1A1HPGDRAB9ATSHRMAPT
Thiobenzoic Acid SCHEMBL28615094 0.77 CES1 (0.36) ALDH1A1HPGDRAB9AMAPTPOLB
SCHEMBL28938885 0.75 ALDH1A1 (0.41) ALDH1A1HPGDRAB9ATSHRMAPT
SCHEMBL6057120 0.71 CA12 (0.46) ALDH1A1HPGDRAB9AMAPTKMT2A
SCHEMBL29083865 0.71 KMT2A (0.39) ALDH1A1HPGDTSHRMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109824812-B Preparation method of red-emitting rare earth coordination induced nano polymer 陕西科技大学 2021-05-04 CN claimed
CN-109824812-B Preparation method of red-emitting rare earth coordination induced nano polymer 陕西科技大学 2021-05-04 CN disclosed