SCHEMBL9876606

SCHEMBL9876606

CCCC[C](N=C=O)N=C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.42
CES2 O00748 5/20 0.42
ALDH1A1 P00352 4/20 0.39
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.37
AKR1B1 P15121 1/20 0.33
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
GPR84 Q9NQS5 5/20 0.32
HDAC11 Q96DB2 5/20 0.32
TSHR P16473 4/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
SLC22A8 Q8TCC7 1/20 0.32
MEN1 O00255 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL11576279 0.84 CES2 (0.36) CES1CES2ALDH1A1TSHR
SCHEMBL6160528 0.78
SCHEMBL7997124 0.78
SCHEMBL5658040 0.76 CES1 (0.39) CES1CES2ALDH1A1TP53CA1
SCHEMBL29228605 0.76
SCHEMBL9496943 0.75 CES1 (0.37) CES1CES2ALDH1A1TP53CA1
SCHEMBL5075050 0.73
SCHEMBL9285155 0.73 CES1 (0.36) CES1CES2ALDH1A1TP53CA1
SCHEMBL8703093 0.71 CES2 (0.48) CES1CES2ALDH1A1AKR1B1PPARG
SCHEMBL28625495 0.70 CES1 (0.33) CES1CES2ALDH1A1TP53CA1

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-5051310-A Textured polyurethane molded articles having multiple sheet layers BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed