SCHEMBL3945879

SCHEMBL3945879

COC(=O)c1cc(OC(C)=O)c2cc(Br)ccc2c1-c1ccc(OC)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.42
DHODH Q02127 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
NR4A2 P43354 1/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
MAPT P10636 4/20 0.39

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
SCHEMBL6131895 0.88 DHODH (0.46) CFDDHODHL3MBTL1MAPTSMN1; SMN2
SCHEMBL1334088 0.86 DHODH (0.53) DHODHMAPTSMN1; SMN2NPC1PKM
SCHEMBL174812 0.86 CFD (0.43) CFDDHODHL3MBTL1NR4A2MAPT
SCHEMBL1010947 0.86 DHODH (0.48) CFDDHODHNR4A2SMN1; SMN2KMT2A
SCHEMBL3151462 0.85 MAPK8 (0.47) CFDL3MBTL1NR4A2KMT2AALDH1A1
SCHEMBL3961256 0.84 KDM4E (0.44) DHODHMAPTSMN1; SMN2NPC1PKM
SCHEMBL25876669 0.83 BACE1 (0.44) CFDL3MBTL1NR4A2MAPTRAB9A
SCHEMBL3137352 0.80 SLC6A3 (0.49) CFDDHODHNR4A2MAPTRAB9A
SCHEMBL8511704 0.79 BACE1 (0.44) CFDL3MBTL1NR4A2MAPTRAB9A
SCHEMBL9331693 0.78 NR4A2 (0.47) CFDL3MBTL1NR4A2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7481955-B2 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL, INC. (US) 2009-01-27 US disclosed
US-20070278460-A1 Photochromic materials comprising metallocenyl groups TRANSITIONS OPTICAL LIMITED (IE) 2007-12-06 US disclosed
WO-2007140058-A1 PHOTOCHROMIC MATERIALS COMPRISING METALLOCENYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2007-12-06 WO disclosed