SCHEMBL7717152

SCHEMBL7717152

COc1cc(C=Cc2ccc(Nc3ccccc3-c3cccc(C)c3)cc2)c(OC)c(C=Cc2ccc(Nc3ccccc3-c3cccc(C)c3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.43
RELA Q04206 1/20 0.42
NFE2L2 Q16236 2/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38
SNCA P37840 3/20 0.36
MAPT P10636 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
SCHEMBL7717151 0.85 NPSR1 (0.41) RELAMAPTRAB9AMAOBALDH1A1
SCHEMBL7716047 0.85 NPSR1 (0.41) RELAMAPTRAB9AMAOBALDH1A1
SCHEMBL7717153 0.82 CYP19A1 (0.41) CYP19A1RELANFE2L2TUBB4ATUBB
SCHEMBL7717399 0.81 HDAC8 (0.37) MAPTALDH1A1
SCHEMBL7875088 0.75 RAPGEF4 (0.51) MAPTMAPK1HSD17B10CYP1A2RAB9A
SCHEMBL7717703 0.75 NR4A1 (0.41) MAPTRAB9AALDH1A1
SCHEMBL7877481 0.75 TDP1 (0.44) MAPTRAB9AALDH1A1
SCHEMBL130522 0.75 NPSR1 (0.46) MAPTRAB9AALDH1A1
SCHEMBL17246941 0.73 NPSR1 (0.56) MAPTHSD17B10RAB9AALDH1A1HPGD
SCHEMBL1505781 0.72 NPSR1 (0.43) MAPTRAB9AALDH1A1

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