SCHEMBL21891706

SCHEMBL21891706

CC1(C)CCCC(C)(C)N1C(=O)c1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MYC P01106 3/20 0.41
NR4A1 P22736 1/20 0.41
CPB1 P15086 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1C3 P42330 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL4235665 0.81 CYP3A4 (0.50) ALDH1A1KMT2AMEN1GAATSHR
Phthalic Acid SCHEMBL6544237 0.77 ALOX15 (0.52) ALDH1A1ALOX15KMT2AMEN1GAA
Phthalic Acid SCHEMBL8067893 0.77 ALOX15 (0.52) ALDH1A1ALOX15KMT2AMEN1GAA
SCHEMBL9307823 0.73 TSHR (0.49) KMT2AMEN1GAATSHRSMN1; SMN2
Phthalic Acid SCHEMBL11171682 0.73 ALDH1A1 (0.56) ALDH1A1ALOX15HTTMAPTSMN1; SMN2
Phthalic Acid SCHEMBL590260 0.71 ALDH1A1 (0.74) ALDH1A1ALOX15KMT2AMAPTTSHR
Phthalic Acid SCHEMBL23275564 0.71 ALDH1A1 (0.82) ALDH1A1ALOX15GAAMAPTSMN1; SMN2
Phthalic Acid SCHEMBL28752744 0.71 ALDH1A1 (0.82) ALDH1A1ALOX15GAAMAPTSMN1; SMN2
Phthalic Acid SCHEMBL2160580 0.71 ALDH1A1 (0.82) ALDH1A1ALOX15GAAMAPTSMN1; SMN2
Phthalic Acid SCHEMBL6537229 0.71 ALDH1A1 (0.82) ALDH1A1ALOX15GAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020054226-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, LAMINATE, METHOD FOR PRODUCING CURED FILM, AND SEMICONDUCTOR DEVICE 富士フイルム株式会社 2020-03-19 WO disclosed