SCHEMBL9837758

SCHEMBL9837758

C=C(C=CC(=O)O)C(=O)OCCCCCC(C)C.C=C(CC=Cc1ccccc1)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESR1 P03372 1/20 0.35
PAM P19021 1/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAOB P27338 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PTGER4 P35408 2/20 0.31
PTGER3 P43115 2/20 0.31
PTGER2 P43116 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL11227936 0.87 KDM4E (0.44) ALDH1A1ESR1PAMKDM4ELMNA
Styrene SCHEMBL2417399 0.83 ALDH1A1 (0.37) ALDH1A1HTTNPSR1ESR1KDM4E
SCHEMBL8982573 0.83 MEN1 (0.43) ALDH1A1NPSR1PAMKDM4ELMNA
SCHEMBL7525257 0.82 ALDH1A1 (0.46) ALDH1A1HTTNPSR1ESR1KDM4E
SCHEMBL6730747 0.82 PAM (0.33) ALDH1A1HTTNPSR1PAMLMNA
SCHEMBL3246416 0.79 HCAR2 (0.44) ALDH1A1HTTESR1TDP1CYP3A4
SCHEMBL3331594 0.77 KDM4E (0.43) ALDH1A1PAMKDM4ELMNAMAPT
SCHEMBL6052550 0.77 KDM4E (0.35) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL96726 0.77 PAM (0.56) ALDH1A1PAMLMNAMAPTTDP1
SCHEMBL11521409 0.76 HCAR2 (0.55) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2

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-4980927-A Disposable skin, Pressure sensitive MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-01-01 US disclosed