SCHEMBL1817398

SCHEMBL1817398

C=CC(C)=CCCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 1/20 0.37
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11512730 0.86 TSHR (0.37) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL16414038 0.86 TSHR (0.37) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL1552505 0.86 TSHR (0.37) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL1176310 0.84 ALOX15 (0.49) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL5949613 0.84 ALOX15 (0.49) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL5949612 0.84 ALOX15 (0.49) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL11372579 0.81 KDM1A (0.41) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL11372583 0.81 KDM1A (0.41) PTPN1ALOX15MEN1CYP3A4KMT2A
SCHEMBL1783484 0.80 KDM1A (0.40) PTPN1ALOX15KDM1ATSHRLMNA
SCHEMBL1783485 0.80 KDM1A (0.40) PTPN1ALOX15KDM1ATSHRLMNA

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
WO-2011062730-A1 APPARATUS FOR DETECTING VOLATILE ORGANIC COMPOUNDS AND RELATED METHODS EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2011-05-26 WO disclosed
US-20110114511-A1 APPARATUS FOR DETECTING VOLATILE ORGANIC COMPOUNDS AND RELATED METHODS INTELLECTUAL VENTURES ASIA PTE. LTD. 2011-05-19 US disclosed