SCHEMBL20912424

SCHEMBL20912424

O=C(O)CCCOCc1cccs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
POLB P06746 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 3/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 4/20 0.44
LTA4H P09960 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.40
MCL1 Q07820 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39

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
SCHEMBL20912419 0.95 NPC1 (0.58) NPC1POLBTDP1HPGDSLC1A3
SCHEMBL13419906 0.94 NPC1 (0.57) NPC1POLBTDP1HPGDSLC1A3
SCHEMBL20912418 0.90 POLB (0.53) NPC1POLBTDP1HPGDSLC1A3
SCHEMBL20912445 0.86 NPC1 (0.62) NPC1POLBTDP1HPGDCYP2C19
Butyric Acid SCHEMBL28207227 0.81 POLB (0.44) NPC1POLBTDP1SLC1A3SLC1A2
SCHEMBL29114055 0.80 NPC1 (0.63) NPC1POLBTDP1HPGDCYP2C19
SCHEMBL8905219 0.80 SLC1A3 (0.44) NPC1POLBHPGDSLC1A3SLC1A2
SCHEMBL6041511 0.80 TAAR1 (0.42) NPC1POLBSLC1A3SLC1A2SLC1A1
SCHEMBL5195846 0.80 SLC1A3 (0.51) NPC1POLBTDP1HPGDSLC1A3
SCHEMBL8906376 0.78 TAAR1 (0.41) NPC1POLBHPGDSLC1A3SLC1A2

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