SCHEMBL8968090

SCHEMBL8968090

CCCCCCCCCC(=O)OOC(=O)CCCCCCCCC.O=C(OOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
P2RX7 Q99572 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HSD17B3 P37058 6/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
DGKA P23743 1/20 0.42
PSEN1 P49768 2/20 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
SCHEMBL2149475 0.84 CES2 (0.57) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL2149394 0.84 CES2 (0.57) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL4286268 0.84 CES2 (0.57) ALDH1A1MAPTMEN1LMNAKMT2A
Benzoyl Peroxide SCHEMBL6003528 0.84 CES2 (0.57) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL1162208 0.84 CES2 (0.57) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL5561553 0.84 CES2 (0.57) ALDH1A1MAPTMEN1LMNAKMT2A
Benzoyl Peroxide SCHEMBL28087289 0.84 CES2 (0.57) ALDH1A1MAPTMEN1LMNAKMT2A
Benzoyl Peroxide SCHEMBL3684199 0.84 CES2 (0.57) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL8028199 0.84 FAAH (0.56) ALDH1A1MAPTMEN1KMT2A
SCHEMBL11272035 0.83 CES2 (0.55) ALDH1A1MAPTMEN1LMNAKMT2A

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
EP-0699707-A1 Curable elastomer compositions with improved mold release SARTOMER COMPANY, INC. (US) 1996-03-06 EP disclosed