SCHEMBL28864201

SCHEMBL28864201

O=C(c1ccccc1)[C@H](CCS)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 3/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 3/20 0.51
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
ATM Q13315 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MITF O75030 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CYP1A1 P04798 1/20 0.48
CYP19A1 P11511 1/20 0.48
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
MAPK1 P28482 1/20 0.45
PTPN1 P18031 5/20 0.44

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
SCHEMBL28241186 0.83 L3MBTL1 (0.53) L3MBTL1TDP1LMNAHSD17B10ALDH1A1
SCHEMBL877951 0.82 CYP2C19 (0.53) LMNAMAPK1
SCHEMBL28257946 0.81 L3MBTL1 (0.52) L3MBTL1TDP1LMNAHSD17B10ALDH1A1
SCHEMBL6203195 0.81 LMNA (0.60) L3MBTL1TDP1LMNAHSD17B10ALDH1A1
SCHEMBL21410266 0.81 L3MBTL1 (0.52) L3MBTL1TDP1LMNAHSD17B10ALDH1A1
SCHEMBL23849637 0.81 L3MBTL1 (0.52) L3MBTL1TDP1LMNAHSD17B10ALDH1A1
Ammonia Solution, Strong SCHEMBL28312779 0.81 L3MBTL1 (0.52) L3MBTL1TDP1LMNAHSD17B10ALDH1A1
SCHEMBL7580361 0.80 L3MBTL1 (0.59) L3MBTL1TDP1LMNAHSD17B10ALDH1A1
SCHEMBL11822391 0.80 LMNA (0.50) L3MBTL1TDP1LMNAHSD17B10ALDH1A1
SCHEMBL9066704 0.80 LMNA (0.50) L3MBTL1TDP1LMNAHSD17B10ALDH1A1

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-109153644-B Small molecules against CEREBLON to enhance effector T cell function H·李·莫菲特癌症中心研究有限公司 2022-10-21 CN disclosed