SCHEMBL11683021

SCHEMBL11683021

O=C(O)c1ccc2c(c1)CCc1ccc(I)cc1C2=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.56
SRD5A1 P18405 4/20 0.56
MAPK14 Q16539 7/20 0.51
ALDH1A1 P00352 1/20 0.46
AKR1B1 P15121 1/20 0.46
TTR P02766 1/20 0.45
TPMT P51580 1/20 0.42
PTPRC P08575 2/20 0.41
AKR1C3 P42330 2/20 0.40
AKR1C1 Q04828 1/20 0.40

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
SCHEMBL11689203 0.92 SRD5A2 (0.57) SRD5A2SRD5A1MAPK14ALDH1A1AKR1B1
SCHEMBL8253251 0.86 SRD5A2 (0.68) SRD5A2SRD5A1MAPK14ALDH1A1AKR1B1
SCHEMBL12514876 0.84 SRD5A2 (0.67) SRD5A2SRD5A1ALDH1A1TTRTPMT
SCHEMBL11684328 0.84 AKR1B1 (0.64) SRD5A2SRD5A1MAPK14ALDH1A1AKR1B1
SCHEMBL11685442 0.82 SRD5A2 (0.56) SRD5A2SRD5A1MAPK14ALDH1A1AKR1B1
SCHEMBL11684258 0.82 SRD5A2 (0.72) SRD5A2SRD5A1MAPK14ALDH1A1AKR1B1
SCHEMBL11684846 0.82 MAPK14 (0.67) SRD5A2SRD5A1MAPK14
SCHEMBL11686955 0.82 SRD5A2 (0.72) SRD5A2SRD5A1MAPK14ALDH1A1AKR1B1
SCHEMBL7050731 0.82 TTR (0.58) SRD5A2SRD5A1MAPK14ALDH1A1AKR1B1
SCHEMBL1918142 0.81 SRD5A2 (0.84) SRD5A2SRD5A1MAPK14TTRPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041173-A ANTI-ASTHMATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1977-08-09 US disclosed