SCHEMBL6739007

SCHEMBL6739007

CCCCCCOc1cc2c3cc(OCCCCCC)c(OCCCCCC)cc3c3cc(OC(=O)c4ccc(-c5ccccc5)cc4)c(OCCCCCC)cc3c2cc1OCCCCCC

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.54
RARB P10826 3/20 0.51
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
CNR2 P34972 1/20 0.46
SMPD1 P17405 3/20 0.45

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
SCHEMBL12732262 0.92 PTPN11 (0.50) PTPN11ALDH1A1HPGDSMPD1
SCHEMBL6737597 0.85 SMPD1 (0.47) PTPN11THRATHRBALDH1A1HPGD
SCHEMBL6738917 0.84 CNR1 (0.48) THRACNR2SMPD1
SCHEMBL7587876 0.83 NPC1 (0.63) RARB
SCHEMBL4531460 0.83 NPC1 (0.63) RARB
SCHEMBL14262015 0.83 NPC1 (0.63) RARB
SCHEMBL9325684 0.83 NPC1 (0.63) RARB
SCHEMBL14262013 0.83 NPC1 (0.63) RARB
SCHEMBL6737583 0.81 ALDH1A1 (0.54) ALDH1A1HPGDSMPD1
SCHEMBL10590647 0.81 LMNA (0.50) PTPN11RARBALDH1A1CNR2

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
US-6689290-B2 Family of conducting liquid crystals THE UNIVERSITY OF LEEDS (GB) 2004-02-10 US claimed
US-20030160212-A1 New family of conducting liquid crystals UNIVERSITY OF LEEDS, THE (GB) 2003-08-28 US claimed
US-6689290-B2 Family of conducting liquid crystals THE UNIVERSITY OF LEEDS (GB) 2004-02-10 US disclosed
US-20030160212-A1 New family of conducting liquid crystals UNIVERSITY OF LEEDS, THE (GB) 2003-08-28 US disclosed
EP-1240272-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 2002-09-18 EP disclosed
WO-2001042391-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS UNIVERSITY OF LEEDS (GB) 2001-06-14 WO disclosed