SCHEMBL4256907

SCHEMBL4256907

CCN(CCOCOC)c1ccc(C=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
ALDH1A3 P47895 2/20 0.59
ALDH3A1 P30838 2/20 0.59
KDM4E B2RXH2 4/20 0.41
GAA P10253 2/20 0.41
CYP2A6 P11509 2/20 0.41
CYP2A13 Q16696 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 8/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 3/20 0.38
GLA P06280 1/20 0.38
GFER P55789 1/20 0.38
ESRRG P62508 3/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL10938401 0.87 ALDH1A1 (0.67) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL10939041 0.86 ALDH1A1 (0.65) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL22171794 0.82 ALDH1A1 (0.59) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL8685817 0.81 ALDH1A1 (0.38) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL1444357 0.80 ALDH1A1 (0.60) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL10942535 0.80 ALDH1A1 (0.83) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL9512944 0.78 ALDH1A1 (0.62) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL20904106 0.77 ALDH1A1 (0.53) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL14571071 0.77 ALDH1A1 (0.49) ALDH1A1ALDH1A3ALDH3A1KDM4EGAA
SCHEMBL8688587 0.77 CYP1A2 (0.41) ALDH1A1KDM4EGAAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648332-B2 Phenyltetraene-based nonlinear optical chromophores UNIVERSITY OF WASHINGTON (US) 2014-02-11 US disclosed
US-8394499-B2 Crosslinkable polymer host having pendant nonlinear optical chromophores and containing a nonlinear optical chromophore guest UNIVERSITY OF WASHINGTON (US) 2013-03-12 US disclosed
US-20090148717-A1 CROSSLINKABLE POLYMER HOST HAVING PENDANT NONLINEAR OPTICAL CHROMOPHORES AND CONTAINING A NONLINEAR OPTICAL CHROMOPHORE GUEST WASHINGTON, UNIVERSITY OF (US) 2009-06-11 US disclosed
US-5834575-A POLYIMIDE OR POLYACRYLATE WITH PENDANT GROUP CONTAINING THIOPHENE RING, BENZENE RING AND VICINAL NITRILE GROUPS, SWITCHES FOR OPTICAL SIGNALS, COMMUNICATION TECHNOLOGY HITACHI CHEMICAL COMPANY, LTD. (JP) 1998-11-10 US disclosed