SCHEMBL28378641

SCHEMBL28378641

CC(C)(C)c1cccc(C(C)(C)C)c1OCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
CD69 Q07108 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
PTGDR2 Q9Y5Y4 1/20 0.51
ELANE P08246 1/20 0.50
ALOX15 P16050 1/20 0.47
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NAMPT P43490 1/20 0.45
POLB P06746 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1H4 Q96RI1 1/20 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
SCHEMBL5696285 0.90 ALDH1A1 (0.54) KMT2ACD69SMN1; SMN2PTGDR2ELANE
SCHEMBL28378379 0.82 LMNA (0.47) LMNANPSR1L3MBTL1NR1H4
SCHEMBL28634307 0.81 ALDH1A1 (0.49) NPSR1NR1H4
SCHEMBL5000594 0.80 NPSR1 (0.67) SMN1; SMN2PTGDR2ALOX15NPSR1NAMPT
SCHEMBL17896576 0.78 PTGDR2 (0.52) SMN1; SMN2PTGDR2NPSR1NAMPTPOLB
SCHEMBL17896573 0.77 PTGDR2 (0.51) SMN1; SMN2PTGDR2NPSR1NAMPTPOLB
SCHEMBL5968095 0.76 CA2 (0.48) SMN1; SMN2NAMPTNR1H4
SCHEMBL17896579 0.75 PTGDR2 (0.46) KMT2ACD69SMN1; SMN2PTGDR2ELANE
SCHEMBL2977527 0.75 CA2 (0.46) NR1H4
SCHEMBL830740 0.75 KMT2A (0.60) KMT2ACD69SMN1; SMN2ALOX15LMNA

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-111041203-B Mixed extracting agent for nickel-lithium separation and separation method 厦门钨业股份有限公司 2021-10-22 CN disclosed
CN-111041203-A Mixed extracting agent for nickel-lithium separation and separation method 厦门钨业股份有限公司 2020-04-21 CN disclosed