SCHEMBL16745271

SCHEMBL16745271

CCC(C)c1ccc(NCCCCC(=O)OC(C)(C)CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 5/20 0.39
RAB9A P51151 6/20 0.39
NPC1 O15118 5/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
HTR1A P08908 3/20 0.37
HTR7 P34969 3/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL17717484 0.91 TSHR (0.44) TSHRNPSR1ALDH1A1RAB9ANPC1
SCHEMBL17717482 0.90 TSHR (0.43) TSHRNPSR1ALDH1A1RAB9ANPC1
SCHEMBL16745269 0.86 TSHR (0.44) TSHRNPSR1ALDH1A1RAB9ANPC1
SCHEMBL16745267 0.80 ALDH1A1 (0.35) ALDH1A1RAB9AKMT2AMAPTGAA
SCHEMBL16745698 0.79 TSHR (0.49) TSHRNPSR1ALDH1A1RAB9ANPC1
SCHEMBL17717488 0.79 TOP2A (0.47) TSHRNPSR1ALDH1A1RAB9ANPC1
SCHEMBL16745697 0.78 TSHR (0.48) TSHRNPSR1ALDH1A1RAB9ANPC1
SCHEMBL17717478 0.77 ALDH1A1 (0.44) TSHRNPSR1ALDH1A1RAB9ANPC1
SCHEMBL17717497 0.77 TSHR (0.44) TSHRNPSR1ALDH1A1RAB9ANPC1
SCHEMBL16745695 0.75 TSHR (0.50) TSHRNPSR1ALDH1A1RAB9ANPC1

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-9366963-B2 Resist composition and pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-14 US disclosed
US-20150147697-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-05-28 US disclosed