SCHEMBL19840313

SCHEMBL19840313

CCCCc1ccc(/C=C2\CN(S(=O)(=O)c3ccc(C)cc3)C/C(=C\c3ccc(CCCC)cc3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CD4 P01730 3/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ ACHE P22303 3/20 0.45
▸ DRD3 P35462 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CARM1 Q86X55 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL15562368 1.00 CD4 (0.47) CD4CNR2ACHEDRD3SMN1; SMN2
SCHEMBL15562369 1.00 CD4 (0.47) CD4CNR2ACHEDRD3SMN1; SMN2
SCHEMBL16755539 0.93 ACHE (0.46) CD4CNR2ACHEDRD3MEN1
SCHEMBL16755536 0.93 ACHE (0.46) CD4CNR2ACHEDRD3MEN1
SCHEMBL19840308 0.93 ACHE (0.46) CD4CNR2ACHEDRD3MEN1
SCHEMBL16769879 0.89 KMT2A (0.47) CNR2ACHEDRD3SMN1; SMN2LMNA
SCHEMBL16755544 0.89 KMT2A (0.47) CNR2ACHEDRD3SMN1; SMN2LMNA
SCHEMBL16755542 0.89 KMT2A (0.47) CNR2ACHEDRD3SMN1; SMN2LMNA
SCHEMBL19840306 0.88 ACHE (0.48) CD4ACHELMNAMEN1KMT2A
SCHEMBL16755587 0.88 ACHE (0.48) CD4ACHELMNAMEN1KMT2A

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
US-9884825-B2 Curcumin analogs and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-02-06 — — US disclosed
US-9884825-B2 Curcumin analogs and methods of making and using thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-02-06 — — US disclosed
Send feedback