SCHEMBL20912418

SCHEMBL20912418

O=C(O)CCOCc1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 2/20 0.51
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 6/20 0.46
LTA4H P09960 1/20 0.43
HPGD P15428 5/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL20912424 0.90 NPC1 (0.56) POLBTDP1NPC1SLC1A3SLC1A2
SCHEMBL20912419 0.89 NPC1 (0.58) POLBTDP1NPC1SLC1A3SLC1A2
SCHEMBL13419906 0.87 NPC1 (0.57) POLBTDP1NPC1SLC1A3SLC1A2
SCHEMBL20912450 0.85 NPC1 (0.57) POLBTDP1NPC1SLC1A3SLC1A2
Butyric Acid SCHEMBL28207227 0.84 POLB (0.44) POLBTDP1NPC1SLC1A3SLC1A2
SCHEMBL5195846 0.82 SLC1A3 (0.51) POLBTDP1NPC1SLC1A3SLC1A2
SCHEMBL8905908 0.78 SLC1A3 (0.42) POLBNPC1SLC1A3SLC1A2SLC1A1
SCHEMBL8055385 0.78 ALDH1A1 (0.43) POLBNPC1SLC1A3SLC1A2SLC1A1
SCHEMBL6733610 0.77 TAAR1 (0.50) POLBNPC1SLC1A3SLC1A2SLC1A1
SCHEMBL654985 0.76 POLB (0.66) POLBTDP1NPC1CYP2C19ALDH1A1

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
US-11269251-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-03-08 US disclosed
US-20190113844-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-04-18 US disclosed