SCHEMBL7717153

SCHEMBL7717153

COc1cc(C=Cc2ccc(Nc3cccc(-c4ccccc4C)c3)cc2)c(OC)c(C=Cc2ccc(Nc3cccc(-c4ccccc4C)c3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
CNR1 P21554 1/20 0.38
CASR P41180 1/20 0.37
TUBB1 Q9H4B7 3/20 0.36
ALDH1A1 P00352 1/20 0.36
NFE2L2 Q16236 4/20 0.36
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36
TUBB2B Q9BVA1 2/20 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
SCHEMBL7716050 0.85 CNR1 (0.49) CNR1ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL7717154 0.85 CNR1 (0.49) CNR1ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL7717152 0.82 CYP19A1 (0.43) CYP19A1TUBB1ALDH1A1NFE2L2TUBB4A
SCHEMBL7717403 0.80 HDAC8 (0.38) CNR1
SCHEMBL7875089 0.77 RAPGEF4 (0.55) CASRCYP3A4CYP1A2CYP2D6MAPK1
SCHEMBL7717705 0.75 CNR1 (0.50) CNR1ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL5843455 0.75 CNR1 (0.47) CNR1ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL30232756 0.74 CNR1 (0.54) CNR1ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL130523 0.74 CNR1 (0.54) CNR1ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL22356061 0.74 CNR1 (0.55) CNR1ALDH1A1CYP3A4CYP1A2CYP2D6

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