SCHEMBL9146754

SCHEMBL9146754

CC[C@H](C)Cc1ccccc1-c1ccc(C(=O)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
CPA1 P15085 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
PPARA Q07869 4/20 0.40
PPARG P37231 4/20 0.40
NPSR1 Q6W5P4 1/20 0.37
FOLH1 Q04609 1/20 0.36
TPH1 P17752 1/20 0.35
FFAR2 O15552 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL9146894 0.87 KMT2A (0.51) KMT2AMMEACECPA1ACE2
SCHEMBL6643039 0.83 PPARA (0.47) KMT2APPARAPPARGFOLH1FFAR2
SCHEMBL10601749 0.80 KMT2A (0.55) KMT2AMMEACECPA1ACE2
SCHEMBL9146322 0.77 RARB (0.39) KMT2AMMEACECPA1ACE2
SCHEMBL11105339 0.77 RARB (0.39) KMT2AMMEACECPA1ACE2
SCHEMBL28055856 0.75 DPP4 (0.58) KMT2AFOLH1MAPTSMN1; SMN2L3MBTL1
SCHEMBL8094022 0.75 ALDH1A1 (0.40) KMT2AFOLH1MEN1
SCHEMBL11031966 0.75 MAPT (0.40) KMT2APPARGMAPT
SCHEMBL7727433 0.75 MAPT (0.40) KMT2APPARGMAPT
SCHEMBL9146896 0.74 TTR (0.44) KMT2AMMEACECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399701-A Polyfluoroalkyloxypyridinecarboxylic acid and -carboxaldehyde intermediates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed
EP-0255236-B1 Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING & MFG (US) 1994-05-04 EP disclosed
US-5254747-A Fluorine-containing chiral smectic liquid crystals MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-10-19 US disclosed
US-4886619-A TILTED OR LATENT TILTED MESOPHASES; BLENDS; FERROELECTRIC DEVICE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-12-12 US disclosed