SCHEMBL11209054

SCHEMBL11209054

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1ccccc1C(=O)N(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.72
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
TSHR P16473 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GABRA1 P14867 2/20 0.49
GABRB2 P47870 2/20 0.49
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.47
JAK2 O60674 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL8027361 0.98 TP53 (0.75) TP53MAOAMAOBLMNAMAPT
SCHEMBL8659026 0.93 TP53 (0.64) TP53MAOAMAOBLMNAMAPT
SCHEMBL8101613 0.92 TP53 (0.78) TP53MAOAMAOBLMNAMAPT
SCHEMBL1217614 0.92 TP53 (0.62) TP53MAOAMAOBLMNAMAPT
SCHEMBL14054856 0.92 TP53 (0.62) TP53MAOAMAOBLMNAMAPT
SCHEMBL14020066 0.90 TP53 (0.59) TP53MAOAMAOBLMNAMAPT
SCHEMBL28556525 0.90 TP53 (0.59) TP53MAOAMAOBLMNAMAPT
SCHEMBL8914355 0.90 TP53 (0.59) TP53MAOAMAOBLMNAMAPT
SCHEMBL28545691 0.85 TP53 (0.54) TP53MAOAMAOBLMNAMAPT
SCHEMBL8612567 0.85 TP53 (0.54) TP53MAOAMAOBLMNAMAPT

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
US-4402708-A FUEL ADDITIVES EXXON RESEARCH & ENGINEERING CO. (US) 1983-09-06 US claimed
US-20150059238-A1 USE OF COLD FLOW IMPROVER COMPOSITIONS FOR FUELS, BLENDS THEREOF WITH BIOFUELS AND FORMULATIONS THEREOF EVONIK OIL ADDITIVES GMBH (DE) 2015-03-05 US disclosed
US-4402708-A FUEL ADDITIVES EXXON RESEARCH & ENGINEERING CO. (US) 1983-09-06 US disclosed