SCHEMBL8621726

SCHEMBL8621726

CCCCOBOCCCCc1ccc(-c2ccccc2Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
RARB P10826 3/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR3 P46089 1/20 0.35

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
SCHEMBL7466244 0.84 HSD11B1 (0.50) HSD11B1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL8161299 0.76 LTA4H (0.56) ALDH1A1MAPK1CYP3A4SMN1; SMN2RARB
SCHEMBL30684865 0.71 HSD11B1 (0.56) HSD11B1ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL28829436 0.71 HSD11B1 (0.56) HSD11B1ALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL11332389 0.71 KDM4E (0.48) HSD11B1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL13430080 0.70 ALDH1A1 (0.50) HSD11B1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL29939361 0.70 HSD11B1 (0.63) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL18462104 0.70 HSD11B1 (0.42) HSD11B1ALDH1A1MAPK1SMN1; SMN2RARB
SCHEMBL12514860 0.69 ALDH1A1 (0.58) ALDH1A1MAPK1LMNASMN1; SMN2TSHR
Pentane SCHEMBL28257821 0.69 ALDH1A1 (0.71) HSD11B1ALDH1A1MAPK1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626016-B1 CHEMILUMINESCENT ENHANCERS BRITISH TECH GROUP (GB) 1998-06-03 EP claimed
US-5629168-A Chemiluminescent enhancers BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-05-13 US claimed