SCHEMBL3249156

SCHEMBL3249156

CCP(=O)(CC)Cc1ccc(-c2ccc(CP(=O)(CC)CC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
HPGD P15428 2/20 0.40
HDAC1 Q13547 2/20 0.40
BDKRB2 P30411 3/20 0.39
ENPP2 Q13822 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RARB P10826 1/20 0.33

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
SCHEMBL2033357 0.82 FDPS (0.42) HPGDHDAC1ENPP2ALDH1A1MAPT
SCHEMBL10910029 0.82 ESR1 (0.42) HPGDENPP2LMNAALDH1A1
SCHEMBL5210171 0.81 HPGD (0.61) HPGDLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL19018942 0.80 HPGD (0.36) HPGDHDAC1ENPP2SMN1; SMN2
SCHEMBL28741620 0.77 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1MAPTRARB
SCHEMBL10397175 0.77 CYP2A6 (0.55) HRH3HTTALDH1A1MAPT
SCHEMBL2038554 0.76 LOXL2 (0.50) ALDH1A1MAPT
SCHEMBL8220530 0.76 PLA2G10 (0.47) HDAC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10945197 0.75 CYP2C19 (0.45) HPGDENPP2TAAR1SMN1; SMN2ALDH1A1
SCHEMBL3122235 0.74 CYP1A2 (0.41) HPGDHDAC1BDKRB2LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1645552-B1 Electroluminescent devices made with double-spiro organic compounds LG CHEMICAL LTD (KR) 2010-05-05 EP disclosed
EP-1294823-B1 DOUBLE-SPIRO ORGANIC COMPOUNDS AND ELECTROLUMINESCENT DEVICES LG CHEMICAL LTD (KR) 2006-12-13 EP disclosed
EP-1645552-A1 Double-spiro organic compounds and electroluminescent devices LG Chem, Ltd. (KR) 2006-04-12 EP disclosed
US-6998487-B2 Double-spiro organic compounds and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2006-02-14 US disclosed
US-6984462-B2 Organic electroluminescent devices using double-spiro organic compounds LG CHEM, LTD. (KR) 2006-01-10 US disclosed
US-20040170863-A1 Organic electroluminescent devices using double-spiro organic compounds LG CHEM, LTD. (KR) 2004-09-02 US disclosed
US-20040023060-A1 Double-spiro organic compounds and organic electroluminescent devices using the same LG CHEM, LTD. (KR) 2004-02-05 US disclosed
EP-1294823-A1 DOUBLE-SPIRO ORGANIC COMPOUNDS AND ELECTROLUMINESCENT DEVICES LG Chem, Ltd. (KR) 2003-03-26 EP disclosed
WO-2002088274-A1 DOUBLE-SPIRO ORGANIC COMPOUNDS AND ELECTROLUMINESCENT DEVICES LG CHEM, LTD. (KR) 2002-11-07 WO disclosed