SCHEMBL28940541

SCHEMBL28940541

CC1COOC(=O)c2ccccc2C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NSD2 O96028 1/20 0.36
G6PD P11413 1/20 0.36
CCR6 P51684 1/20 0.36
ACHE P22303 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAOA P21397 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOB P27338 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AKT1 P31749 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
POLB P06746 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9722584 0.81 MAOA (0.41) ALOX15TDP1NSD2G6PDCCR6
SCHEMBL29795053 0.81 MAOA (0.41) ALOX15TDP1NSD2G6PDCCR6
SCHEMBL5177685 0.79 MAOA (0.39) ALOX15TDP1NSD2G6PDCCR6
SCHEMBL23273613 0.79 MAOA (0.35) NSD2G6PDCCR6MAOASMN1; SMN2
Propylene Carbonate SCHEMBL29276507 0.75 MAOA (0.36) ALOX15TDP1NSD2G6PDCCR6
Propene SCHEMBL29022547 0.74 MAOA (0.35) ALOX15TDP1NSD2G6PDCCR6
Ethylene Glycol SCHEMBL29109703 0.74 MAOA (0.36) ALOX15TDP1NSD2G6PDCCR6
SCHEMBL10628643 0.71 CA1 (0.39) ALOX15TDP1NSD2G6PDCCR6
Phthalic Anhydride SCHEMBL3794795 0.70 TDP1 (0.64) ALOX15TDP1NSD2G6PDCCR6
SCHEMBL2729912 0.69 SMN1; SMN2 (0.56) ACHEALDH1A1MAOASMN1; SMN2MAOB

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-114555768-A Laundry powder detergent compositions 科莱恩国际有限公司 2022-05-27 CN disclosed