SCHEMBL9501048

SCHEMBL9501048

O=CC(=O)c1ccc(-c2ccc(Cl)cc2Br)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 0.38
SRD5A1 P18405 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 2/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
ERN1 O75460 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
GSK3B P49841 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL10554190 0.77 GRM2 (0.41) SRD5A2SRD5A1ALDH1A1MAPK1TDP1
SCHEMBL20599056 0.75 S100A4 (0.46) ALDH1A1TDP1TP53CES1ALOX15
SCHEMBL1483257 0.75 MAOB (0.49) ALDH1A1MAPK1TDP1NPC1RAB9A
SCHEMBL2866317 0.75 TDP1 (0.46) SRD5A2ALDH1A1MAPK1TDP1NPC1
SCHEMBL8984336 0.74 TDP1 (0.44) SRD5A2ALDH1A1MAPK1TDP1NPC1
SCHEMBL1673734 0.73 MAPK1 (0.58) SRD5A2ALDH1A1MAPK1TDP1CES2
SCHEMBL9501454 0.73 RAB9A (0.48) SRD5A2SRD5A1RAB9ATP53TSHR
SCHEMBL11152327 0.72 TDP1 (0.43) SRD5A2ALDH1A1MAPK1TDP1NPC1
SCHEMBL10881838 0.72 VCAM1 (0.46) ALDH1A1MAPK1NPC1RAB9ATSHR
Water SCHEMBL10353718 0.72 MAPK1 (0.56) SRD5A2ALDH1A1MAPK1TDP1CES2

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
EP-0322788-B1 MELT-PROCESSABLE AROMATIC POLYESTERAMIDES HAVING REPEATING 2,2'-SUBSTITUTED BIPHENYLENE RADICALS POLAROID CORPORATION (US) 1993-04-28 EP disclosed
EP-0322788-A2 Melt-processable aromatic polyesteramides having repeating 2,2'-substituted biphenylene radicals POLAROID CORPORATION (US) 1989-07-05 EP disclosed
US-4843141-A HIGH STREENGTH FILMS AND FIBERS POLAROID CORPORATION, PATENT DEPARTMENT (US) 1989-06-27 US disclosed
US-4608429-A Low-melting aromatic polyesters with repeating 2,2'-substituted-biphenylene radicals POLAROID CORPORATION, PATENT DEPT. (US) 1986-08-26 US disclosed