SCHEMBL7979557

SCHEMBL7979557

CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccccc1C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
NPC1 O15118 1/20 0.43
JAK2 O60674 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CNR2 P34972 1/20 0.43
AKR1C3 P42330 1/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
ICMT O60725 1/20 0.42
ALB P02768 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL28533640 0.98 POLB (0.44) CES2CES1NAAAALDH1A1TP53
SCHEMBL5281391 0.94 POLB (0.48) CES2CES1ALDH1A1TP53POLB
SCHEMBL6567299 0.91 ALDH1A1 (0.50) CES2CES1NAAAALDH1A1TP53
SCHEMBL6567311 0.91 ALDH1A1 (0.50) CES2CES1NAAAALDH1A1TP53
SCHEMBL6569140 0.91 ALDH1A1 (0.50) CES2CES1NAAAALDH1A1TP53
SCHEMBL6567779 0.91 ALDH1A1 (0.50) CES2CES1NAAAALDH1A1TP53
SCHEMBL6568005 0.91 ALDH1A1 (0.50) CES2CES1NAAAALDH1A1TP53
SCHEMBL6566239 0.91 ALDH1A1 (0.50) CES2CES1NAAAALDH1A1TP53
SCHEMBL6568014 0.91 ALDH1A1 (0.50) CES2CES1NAAAALDH1A1TP53
SCHEMBL6567797 0.91 ALDH1A1 (0.50) CES2CES1NAAAALDH1A1TP53

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-6277926-B1 PROCESSING RUBBER BY MIXING WITH A BIS-(4-AMINOPHENYL)-CARBONYL-(1,4-PHENYLENE)-POLYSUFIDE TO INCREASE THE MOONEY VISCOSITY I.E. STIFFNESS; IMPROVED POLYMER/FILLER INTERACTION; RECEPTIVITY THE GOODYEAR TIRE & RUBBER COMPANY 2001-08-21 US disclosed