SCHEMBL1469766

SCHEMBL1469766

C=CCCCCCCCCCc1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC4 P56524 1/20 0.43
THRB P10828 6/20 0.41
THRA P10827 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL11336193 0.89 TDP1 (0.52) ALDH1A1USP2HPGDTDP1HDAC1
SCHEMBL12989712 0.89 TDP1 (0.52) ALDH1A1USP2HPGDTDP1HDAC1
SCHEMBL11328438 0.87 TDP1 (0.48) ALDH1A1USP2HPGDTDP1HDAC1
SCHEMBL3112000 0.84 ESR1 (0.57) ALDH1A1USP2HPGDTDP1TRPV1
SCHEMBL3095896 0.84 ESR1 (0.57) ALDH1A1USP2HPGDTDP1TRPV1
SCHEMBL3091017 0.84 ESR1 (0.57) ALDH1A1USP2HPGDTDP1TRPV1
SCHEMBL3113234 0.84 ESR1 (0.57) ALDH1A1USP2HPGDTDP1TRPV1
SCHEMBL10982835 0.83 CHKA (0.41) ALDH1A1HPGDTHRBMEN1KMT2A
SCHEMBL3100617 0.82 ESR1 (0.53) ALDH1A1TRPV1ESR1ADRA2AADORA3
SCHEMBL3290855 0.82 TDP1 (0.46) ALDH1A1USP2HPGDTDP1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110070659-A1 SAMPLE PRESENTATION DEVICE QIAGEN SCIENCES, INC. (DE) 2011-03-24 US disclosed
US-20080248589-A1 Sample Presentation Device LUMICYTE, INC. 2008-10-09 US disclosed
EP-1756543-A2 SAMPLE PRESENTATION DEVICE Qiagen Sciences, Inc. (US) 2007-02-28 EP disclosed
EP-1656202-A1 SAMPLE PRESENTATION DEVICE WITH DIFFERING WETTABILITY Qiagen Sciences, Inc. (US) 2006-05-17 EP disclosed
WO-2005114132-A2 SAMPLE PRESENTATION DEVICE QIAGEN SCIENCES, INC. (DE) 2005-12-01 WO disclosed
US-20050164402-A1 Sample presentation device QLAGEN SCIENCES, INC. (DE) 2005-07-28 US disclosed
WO-2005016530-A1 SAMPLE PRESENTATION DEVICE WITH DIFFERING WETTABILITY QIAGEN SCIENCES, INC. (DE) 2005-02-24 WO disclosed