SCHEMBL28429232

SCHEMBL28429232

CCCC(C)OC(=O)c1ccccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
LMNA P02545 3/20 0.52
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
SCN1A P35498 1/20 0.45
SCN2A Q99250 1/20 0.45
SCN3A Q9NY46 1/20 0.45
KDM4E B2RXH2 5/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42

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
SCHEMBL10789528 0.91 ALDH1A1 (0.66) ALDH1A1LMNATSHRTDP1HPGD
SCHEMBL30010658 0.91 ALDH1A1 (0.66) ALDH1A1LMNATSHRTDP1HPGD
SCHEMBL5834586 0.90 ALDH1A1 (0.68) ALDH1A1LMNATSHRTDP1SCN1A
SCHEMBL31438950 0.89 ALDH1A1 (0.72) ALDH1A1LMNATSHRTDP1SCN1A
SCHEMBL28495641 0.88 ALDH1A1 (0.75) ALDH1A1LMNATSHRTDP1KDM4E
SCHEMBL39200 0.87 LMNA (0.55) ALDH1A1LMNATSHRTDP1HPGD
SCHEMBL10601729 0.84 TDP1 (0.61) ALDH1A1LMNATSHRTDP1HPGD
SCHEMBL5834591 0.84 ALDH1A1 (0.78) ALDH1A1LMNATSHRTDP1ALOX15
Benzene SCHEMBL27900359 0.84 ALDH1A1 (0.78) ALDH1A1LMNATSHRTDP1ALOX15
SCHEMBL12083363 0.83 LMNA (0.55) ALDH1A1LMNATSHRTDP1HPGD

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
CN-107250339-B Poly (aspartic acid) -derived copolymers for the controlled release of perfuming ingredients 弗门尼舍有限公司 2020-07-17 CN disclosed
CN-111295438-A Lily of the valley odorant 弗门尼舍有限公司 2020-06-16 CN disclosed