SCHEMBL20912445

SCHEMBL20912445

O=C(O)CCCOCCc1cccs1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.62
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
HPGD P15428 2/20 0.50
ALDH1A1 P00352 5/20 0.49
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TAAR1 Q96RJ0 1/20 0.44
CYP2C19 P33261 1/20 0.44
LTA4H P09960 1/20 0.43
USP2 O75604 1/20 0.43
MCL1 Q07820 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 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
SCHEMBL29114055 0.94 NPC1 (0.63) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL20912450 0.90 NPC1 (0.57) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL20912424 0.86 NPC1 (0.56) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL338927 0.83 NPC1 (0.68) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL20912444 0.82 NPC1 (0.51) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL2400084 0.82 NPC1 (0.70) NPC1POLBTDP1HPGDALDH1A1
Hydrochloric Acid SCHEMBL11633870 0.82 NPC1 (0.66) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL20912419 0.81 NPC1 (0.58) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL15379631 0.81 TAAR1 (0.58) NPC1POLBTDP1HPGDALDH1A1
SCHEMBL9511766 0.81 SMN1; SMN2 (0.49) NPC1POLBTDP1HPGDALDH1A1

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