SCHEMBL28214977

SCHEMBL28214977

CCOC(=O)Cc1cccccccs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
POLB P06746 4/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
ESR2 Q92731 1/20 0.54
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
HSD17B10 Q99714 3/20 0.48
TSHR P16473 2/20 0.48
CASP6 P55212 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL358221 0.93 POLB (0.60) MEN1KMT2APOLBL3MBTL1ESR2
Alcohol SCHEMBL29045225 0.90 POLB (0.57) MEN1KMT2APOLBL3MBTL1ESR2
SCHEMBL28536342 0.81 POLB (0.50) MEN1KMT2APOLBL3MBTL1ESR2
SCHEMBL6317907 0.81 POLB (0.55) MEN1KMT2APOLBL3MBTL1ESR2
SCHEMBL9495408 0.80 NPC1 (0.58) MEN1KMT2APOLBL3MBTL1ESR2
SCHEMBL6970386 0.79 ALDH1A1 (0.64) MEN1KMT2APOLBL3MBTL1NPC1
SCHEMBL9498848 0.78 ALDH1A1 (0.59) MEN1KMT2APOLBL3MBTL1ESR2
SCHEMBL2398774 0.77 ALDH1A1 (0.59) MEN1KMT2APOLBL3MBTL1ESR2
SCHEMBL1504839 0.77 ALDH1A1 (0.55) MEN1KMT2APOLBL3MBTL1ESR2
SCHEMBL9495357 0.77 RAB9A (0.53) MEN1KMT2APOLBL3MBTL1ESR2

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
CN-108048498-A A kind of sulforaphen extraction process 青岛博恩高科生物技术有限公司 2018-05-18 CN disclosed