SCHEMBL9250267

SCHEMBL9250267

CCC(Br)(CC)C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.46
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALOX15 P16050 2/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL8031952 0.82 ELANE (0.47) ELANEATML3MBTL1MAPTTDP1
SCHEMBL3179425 0.82 ELANE (0.47) ELANEATML3MBTL1MAPTTDP1
SCHEMBL131278 0.81 ELANE (0.51) ELANEATML3MBTL1MAPTTDP1
SCHEMBL539078 0.81 ELANE (0.50) ELANEATML3MBTL1MAPTTDP1
SCHEMBL26453070 0.81 ELANE (0.50) ELANEATML3MBTL1MAPTTDP1
SCHEMBL7943217 0.81 ELANE (0.46) ELANEATML3MBTL1MAPTTDP1
Ammonia Solution, Strong SCHEMBL27373723 0.81 ELANE (0.46) ELANEATML3MBTL1MAPTTDP1
SCHEMBL7942646 0.79 ELANE (0.49) ELANEATML3MBTL1MAPTTDP1
SCHEMBL9486142 0.79 ELANE (0.45) ELANEATML3MBTL1MAPTTDP1
SCHEMBL6487373 0.79 ELANE (0.45) ELANEATML3MBTL1MAPTTDP1

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-5401766-A Hypotensive agents with vasodilation HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5162362-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-10 US disclosed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US disclosed