SCHEMBL9380422

SCHEMBL9380422

CCC(=O)/C(=C/c1ccc(F)cc1)C(=O)OC

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
TRPA1 O75762 3/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
IKBKG Q9Y6K9 1/20 0.44
GLO1 Q04760 1/20 0.42
ABCB11 O95342 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9380427 1.00 MEN1 (0.60) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL28091426 0.88 MAPT (0.57) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL3921874 0.87 MAPT (0.67) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL6505926 0.86 KDM4E (0.51) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL28224152 0.84 MEN1 (0.60) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL8877160 0.82 MEN1 (0.57) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL13939604 0.82 MAPT (0.57) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL8877165 0.82 MEN1 (0.57) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL2572526 0.82 MAPT (0.57) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL9735963 0.79 MEN1 (0.50) MEN1KMT2ALMNAMAPTNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303446-B1 Pyrroloisoquinolines MAY & BAKER LTD (GB) 1994-05-25 EP disclosed
US-4933350-A Pyrroloisoquinolines useful as hypercholesterolemic and hyperlipoprotienimic agents MAY & BAKER LIMITED (GB) 1990-06-12 US disclosed
EP-0303446-A1 Pyrroloisoquinolines MAY & BAKER LIMITED (GB) 1989-02-15 EP disclosed