SCHEMBL11189223

SCHEMBL11189223

CCNC(c1cc(C(=O)OCCO)cc(Br)c1N)C1CCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ADRB2 P07550 5/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11179681 1.00 ALOX15 (0.36) ALOX15ESR1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11186321 0.99 ESR1 (0.36) ALOX15ESR1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11178849 0.94 ESR1 (0.39) ALOX15ESR1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11170161 0.93 ESR1 (0.38) ALOX15ESR1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11269039 0.92 ESR1 (0.38) ALOX15ESR1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11196540 0.92 ESR1 (0.38) ALOX15ESR1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11186114 0.92 ESR1 (0.38) ALOX15ESR1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11196479 0.92 ESR1 (0.38) ALOX15ESR1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11173103 0.92 ESR1 (0.38) ALOX15ESR1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11199302 0.90 ESR1 (0.39) ALOX15ESR1SMN1; SMN2L3MBTL1ALDH1A1

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
EP-0024282-B1 BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1983-05-18 — — EP disclosed
Send feedback