SCHEMBL9058703

SCHEMBL9058703

[CH2]C=C(C)CCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.52
KDM1A O60341 1/20 0.46
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 1/20 0.34
PDE4A P27815 1/20 0.34
SNCA P37840 1/20 0.34
PDE3A Q14432 1/20 0.34
CA1 P00915 2/20 0.31
BLM P54132 1/20 0.30
PTPN2 P17706 1/20 0.30
CDC25B P30305 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
SCHEMBL9058702 1.00 PTPN1 (0.52) PTPN1KDM1ALMNAMEN1CYP3A4
SCHEMBL28975531 0.93 PTPN1 (0.46) PTPN1KDM1ALMNAMEN1CYP3A4
SCHEMBL1527789 0.92 PTPN1 (0.65) PTPN1KDM1ALMNAMEN1CYP3A4
SCHEMBL27171043 0.92 PTPN1 (0.65) PTPN1KDM1ALMNAMEN1CYP3A4
SCHEMBL27171042 0.92 PTPN1 (0.65) PTPN1KDM1ALMNAMEN1CYP3A4
SCHEMBL23581541 0.92 PTPN1 (0.65) PTPN1KDM1ALMNAMEN1CYP3A4
SCHEMBL13278051 0.92 PTPN1 (0.65) PTPN1KDM1ALMNAMEN1CYP3A4
SCHEMBL1527788 0.92 PTPN1 (0.65) PTPN1KDM1ALMNAMEN1CYP3A4
SCHEMBL13278052 0.92 PTPN1 (0.65) PTPN1KDM1ALMNAMEN1CYP3A4
SCHEMBL27608368 0.90 PTPN1 (0.62) PTPN1KDM1ALMNAMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2700635-A1 5-Trifluoromethylpyrazole amides having herbicidal activity BASF SE (DE) 2014-02-26 EP disclosed
EP-2700634-A1 5-difluoromethylpyrazole amides having herbicidal activity BASF SE (DE) 2014-02-26 EP disclosed
WO-1996017589-A1 METHOD OF SMOOTHING OR REMOVING WRINKLES AND METHOD OF STIMULATING COLLAGEN SYNTHESIS KAO CORPORATION (JP) 1996-06-13 WO disclosed
US-4222963-A Substituted propargyl alcohols, allylic alcohols and unsaturated ketones, and methods for the production thereof KURARAY CO., LTD. (JP) 1980-09-16 US disclosed
US-4179579-A PERFUMES KURARAY CO., LTD. (JP) 1979-12-18 US disclosed
US-4122119-A Process for the production of unsaturated ketones KURARAY CO., LTD. (JP) 1978-10-24 US disclosed