SCHEMBL11514916

SCHEMBL11514916

C[CH]C=CC(C)=CCCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.39
PTPN1 P18031 1/20 0.39
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.32
FASN P49327 1/20 0.32
MEN1 O00255 1/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL18649678 0.82 PTPN1 (0.45) EP300PTPN1TSHRALDH1A1FASN
SCHEMBL13825221 0.80 TRPA1 (0.48) EP300PTPN1TSHRALDH1A1FASN
SCHEMBL30698180 0.80 TRPA1 (0.48) EP300PTPN1TSHRALDH1A1FASN
SCHEMBL23087045 0.80 TRPA1 (0.48) EP300PTPN1TSHRALDH1A1FASN
SCHEMBL30924809 0.80 TSHR (0.50) EP300PTPN1TSHRALDH1A1FASN
SCHEMBL23087043 0.80 TRPA1 (0.48) EP300PTPN1TSHRALDH1A1FASN
SCHEMBL28912640 0.80 TRPA1 (0.48) EP300PTPN1TSHRALDH1A1FASN
SCHEMBL8700013 0.78 EP300 (0.45) EP300PTPN1TSHRMEN1CYP3A4
SCHEMBL8700010 0.78 EP300 (0.45) EP300PTPN1TSHRMEN1CYP3A4
SCHEMBL20385078 0.77 EP300 (0.41) EP300PTPN1TSHRALDH1A1MEN1

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-4169199-A Precursors for prostaglandin analogue and process for preparing the same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1979-09-25 US disclosed