SCHEMBL5078045

SCHEMBL5078045

N/C(=C\C(=O)O)CCCCCC/C(N)=C/C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
LMNA P02545 3/20 0.41
NFKB1 P19838 2/20 0.41
PMP22 Q01453 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
PLG P00747 1/20 0.39
THRB P10828 1/20 0.39
SLC6A2 P23975 1/20 0.39
RECQL P46063 1/20 0.39
SLC6A3 Q01959 1/20 0.39
FAAH O00519 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOAT1 P35610 1/20 0.35
GPR84 Q9NQS5 6/20 0.35

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
SCHEMBL21552131 0.91 GPR84 (0.50) TSHRLMNANFKB1PMP22MEN1
SCHEMBL8325849 0.86 AKR1B1 (0.50) TSHRMEN1KMT2AALDH1A1ALOX15
SCHEMBL7148017 0.83 CES1 (0.44) TSHRMEN1KMT2AALDH1A1ALOX15
SCHEMBL7148023 0.83 CES1 (0.44) TSHRMEN1KMT2AALDH1A1ALOX15
SCHEMBL7148020 0.83 CES1 (0.44) TSHRMEN1KMT2AALDH1A1ALOX15
SCHEMBL4449633 0.78
SCHEMBL5640537 0.78 KDM1A (0.53) PTPN1BLM
SCHEMBL5640545 0.78 KDM1A (0.53) PTPN1BLM
SCHEMBL10416148 0.78 MEN1 (0.44) TSHRMEN1KMT2A
SCHEMBL5640541 0.78 KDM1A (0.53) PTPN1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227895-A1 Fire retardant vinyl chloride-based resin composition and molded article thereof MITSUBISHI PLASTICS, INC. (JP) 2008-09-18 US disclosed
US-20060014874-A1 Flame-resistant vinyl chlorride based resin composition and formed product therefrom MITSUBISHI PLASTICS, INC. (JP) 2006-01-19 US disclosed