SCHEMBL28935948

SCHEMBL28935948

O=CCC(=O)Cc1cc2ccccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
NLRP3 Q96P20 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
FLT3 P36888 1/20 0.46
CYP2A6 P11509 1/20 0.46
IDO1 P14902 1/20 0.45
HDAC3 O15379 4/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC2 Q92769 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL27736989 0.82 MTNR1A (0.54) LOXL2NLRP3MTNR1AMTNR1BFLT3
SCHEMBL3451201 0.81 LOXL2 (0.58) LOXL2NLRP3MTNR1AMTNR1BFLT3
SCHEMBL28762418 0.81 NLRP3 (0.53) LOXL2NLRP3MTNR1AMTNR1BFLT3
SCHEMBL29365671 0.80 LOXL2 (0.56) LOXL2NLRP3MTNR1AMTNR1BFLT3
SCHEMBL31336079 0.80 LOXL2 (0.56) LOXL2NLRP3MTNR1AMTNR1BFLT3
SCHEMBL49270 0.80 LOXL2 (0.56) LOXL2NLRP3MTNR1AMTNR1BFLT3
SCHEMBL8928685 0.78 LOXL2 (0.55) LOXL2NLRP3MTNR1AMTNR1BFLT3
SCHEMBL3120573 0.78 MTNR1A (0.60) LOXL2NLRP3MTNR1AMTNR1BFLT3
SCHEMBL630523 0.78 SIRT1 (0.64) LOXL2NLRP3MTNR1AMTNR1BFLT3
SCHEMBL31511816 0.78 LOXL2 (0.55) LOXL2NLRP3MTNR1AMTNR1BFLT3

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-110157746-B Method for synthesizing auxin by microorganisms 赣南师范大学 2022-12-13 CN disclosed