SCHEMBL22017327

SCHEMBL22017327

C=C(C)C(=O)OC1(c2ccc(C(C)(C)C)cc2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
SLC6A2 P23975 2/20 0.36
FAAH O00519 1/20 0.36
HSD11B1 P28845 1/20 0.36
SRD5A2 P31213 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
DHODH Q02127 2/20 0.33
TP53 P04637 2/20 0.33
MEN1 O00255 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL22006266 0.99 HSD11B1 (0.36) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL25905311 0.86 HSD11B1 (0.36) SMN1; SMN2RAB9ANPC1HTTMAPT
SCHEMBL25564666 0.86 SLC6A3 (0.40) HTTMAPTSLC6A2SRD5A2ALDH1A1
SCHEMBL10062521 0.84 CA1 (0.38) SMN1; SMN2HTTMAPTALDH1A1KMT2A
SCHEMBL25564667 0.83 HSD11B1 (0.43) SMN1; SMN2MAPTSLC6A2HSD11B1ALDH1A1
SCHEMBL25960357 0.83 OPRM1 (0.34) LMNA
SCHEMBL17914408 0.83 HRH3 (0.35) KMT2AMEN1LMNA
SCHEMBL4903380 0.83 HSD11B1 (0.41) SMN1; SMN2MAPTSLC6A2HSD11B1ALDH1A1
SCHEMBL1130178 0.82 AKR1C1 (0.42) HTTKMT2AMEN1
SCHEMBL25698983 0.82 ESR2 (0.42) HTTMAPTALDH1A1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210157234-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2021-05-27 US disclosed
US-20210003918-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2021-01-07 US disclosed
US-20200159119-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2020-05-21 US disclosed