SCHEMBL16999350

SCHEMBL16999350

COC1=C(OC)C(=O)C(C/C=C(C)/C=C(C)/C=C(C)/C=C(C)/C=C(C)/C=C(C)/C=C(C)/C=C(C)/C=C(\C)C=C(C)C)=C(C)C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ MAPT P10636 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ PGR P06401 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ AVPR2 P30518 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.43
▸ IDO1 P14902 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL16999348 1.00 LMNA (0.59) LMNAMAPTTDP1PGRMAPK1
SCHEMBL16999349 0.97 LMNA (0.62) LMNAMAPTTDP1PGRMAPK1
Coenzyme Q1 SCHEMBL1129498 0.84 LMNA (0.73) LMNAMAPTTDP1PGRMAPK1
SCHEMBL4318927 0.78 LMNA (0.61) LMNAMAPTTDP1PGRMAPK1
SCHEMBL2625087 0.77 LMNA (0.68) LMNAMAPTTDP1PGRMAPK1
SCHEMBL14407307 0.76 LMNA (0.62) LMNAMAPTTDP1PGRMAPK1
SCHEMBL14407313 0.76 LMNA (0.62) LMNAMAPTTDP1PGRMAPK1
Coenzyme Q2 SCHEMBL623496 0.75 LMNA (0.97) LMNAMAPTPGRMAPK1PDE3A
Coenzyme Q2 SCHEMBL1506676 0.75 LMNA (0.97) LMNAMAPTPGRMAPK1PDE3A
SCHEMBL18715960 0.75 LMNA (0.72) LMNAMAPTTDP1PGRMAPK1

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
US-20150224066-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2015-08-13 — — US disclosed
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