SCHEMBL20912450

SCHEMBL20912450

O=C(O)CCOCCc1cccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
POLB P06746 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 5/20 0.48
TSHR P16473 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP2C19 P33261 1/20 0.46
HPGD P15428 4/20 0.45
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
RAB9A P51151 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LTA4H P09960 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL20912445 0.90 NPC1 (0.62) NPC1POLBTDP1ALDH1A1TSHR
SCHEMBL29114055 0.88 NPC1 (0.63) NPC1POLBTDP1ALDH1A1TSHR
SCHEMBL20912444 0.85 NPC1 (0.51) NPC1POLBTDP1ALDH1A1TSHR
SCHEMBL20912418 0.85 POLB (0.53) NPC1POLBTDP1ALDH1A1TSHR
SCHEMBL15379631 0.84 TAAR1 (0.58) NPC1POLBTDP1ALDH1A1TSHR
SCHEMBL654985 0.82 POLB (0.66) NPC1POLBTDP1ALDH1A1TSHR
Hydrochloric Acid SCHEMBL9699973 0.80 POLB (0.64) NPC1POLBTDP1ALDH1A1TSHR
SCHEMBL8905812 0.79 TAAR1 (0.48) NPC1POLBTDP1ALDH1A1TSHR
SCHEMBL338927 0.79 NPC1 (0.68) NPC1POLBTDP1ALDH1A1TSHR
SCHEMBL8905819 0.79 TAAR1 (0.48) NPC1POLBTDP1ALDH1A1TSHR

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