SCHEMBL6737587

SCHEMBL6737587

CCCCCCOc1cc2c3cc(OCCCCCC)c(OCCCCCC)cc3c3cc(OCCOCCOC)c(OCCCCCC)cc3c2cc1OCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 6/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
EGFR P00533 2/20 0.37
GAK O14976 1/20 0.37
TLR8 Q9NR97 1/20 0.37

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
SCHEMBL6741304 1.00 SMPD1 (0.43) SMPD1MEN1KMT2ATHRBHTT
SCHEMBL6737600 1.00 SMPD1 (0.43) SMPD1MEN1KMT2ATHRBHTT
SCHEMBL6738768 0.91 MEN1 (0.48) SMPD1MEN1KMT2ATHRBHTT
SCHEMBL7641945 0.91 MEN1 (0.48) SMPD1MEN1KMT2ATHRBHTT
SCHEMBL6739587 0.87 KDM1A (0.43) ALDH1A1EGFRGAKKDM1A
SCHEMBL8453567 0.87 SMPD1 (0.45) SMPD1MEN1KMT2ATHRBHTT
SCHEMBL6743869 0.85 NR5A1 (0.45) SMPD1MEN1KMT2AMAPTALDH1A1
SCHEMBL202536 0.85 NR5A1 (0.45) SMPD1MEN1KMT2AMAPTALDH1A1
SCHEMBL12918761 0.85 NR5A1 (0.45) SMPD1MEN1KMT2AMAPTALDH1A1
SCHEMBL20678395 0.85 NR5A1 (0.45) SMPD1MEN1KMT2AMAPTALDH1A1

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
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
JP-2003516422-A 2003-05-13 JP claimed
EP-1240272-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS THE UNIVERSITY OF LEEDS (GB) 2002-09-18 EP claimed
WO-2001042391-A2 A NEW FAMILY OF CONDUCTING LIQUID CRYSTALS UNIVERSITY OF LEEDS (GB) 2001-06-14 WO 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