SCHEMBL21547595

SCHEMBL21547595

C=C(C)Cc1cc(Cc2ccccc2)cc(C(C)C(=C)C)c1OC

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
MTNR1A P48039 1/20 0.34
LMNA P02545 1/20 0.33
HTR2A P28223 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
PTPN6 P29350 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
SCHEMBL21547591 0.81 LMNA (0.41) LTA4HMTNR1ALMNAMEN1KMT2A
SCHEMBL2097755 0.69 LTA4H (0.53) LTA4HLMNAPTPN2PTPN1PTPN6
SCHEMBL21547610 0.68 PTPN1 (0.48) LMNAPTPN2PTPN1PTPN6
SCHEMBL10600372 0.68 MAPT (0.50) LTA4HLMNAPTPN2PTPN1PTPN6
SCHEMBL21547581 0.65 RARG (0.32)
SCHEMBL21547607 0.64 GABRA1 (0.35) KMT2A
SCHEMBL21547586 0.64 ELANE (0.34) MTNR1ALMNAMEN1KMT2A
SCHEMBL239070 0.64 CA2 (0.53) MTNR1AMEN1KMT2A
SCHEMBL6943711 0.64 LTA4H (0.43) LTA4HLMNAHTR2AMEN1KMT2A
SCHEMBL21547557 0.63 MAPT (0.33)

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
EP-2616513-B1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECH CO (SA) 2019-11-06 EP disclosed