SCHEMBL7716103

SCHEMBL7716103

OCCON(OCCO)c1ccc(C=Cc2ccc(N(OCCO)OCCO)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.42
PTGS1 P23219 1/20 0.39
RELA Q04206 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 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
SCHEMBL8844278 0.91 ALDH1A1 (0.42) APPPTGS1CTDSP1MAPTKMT2A
SCHEMBL3040467 0.88 ALDH1A1 (0.47) APPMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL8844230 0.85 ALDH1A1 (0.46) APPMAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL3675306 0.79 CA2 (0.38) APPMEN1MAPTALOX15KMT2A
SCHEMBL7737665 0.78 ALDH1A1 (0.39) APPMEN1MAPTALOX15KMT2A
SCHEMBL80211 0.78 ALDH1A1 (0.39) APPMAPTRAB9AKDM4EALDH1A1
SCHEMBL104212 0.77 ALDH1A1 (0.46) MEN1KMT2ANPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL28957292 0.75 ALDH1A1 (0.45) MEN1KMT2ANPC1RAB9AKDM4E
Ammonia Solution, Strong SCHEMBL28490309 0.75 ALDH1A1 (0.45) MEN1KMT2ANPC1RAB9AKDM4E
SCHEMBL1150096 0.73 CHRM5 (0.38) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197722-B2 Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-06-12 US disclosed
US-20020185634-A1 Two-photon or higher-order absorbing optical materials and methods of use CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-12-12 US disclosed
US-6267913-B1 IN HOLOGRAPHYL, BIOLOGY, OPTICAL DATA STORAGE CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-07-31 US disclosed
WO-1998021521-A9 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INST OF TECHN (US) 2000-03-02 WO disclosed
WO-1998021521-A1 TWO-PHOTON OR HIGHER-ORDER ABSORBING OPTICAL MATERIALS AND METHODS OF USE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-05-22 WO disclosed