SCHEMBL22748432

SCHEMBL22748432

CCCCCCCc1ccc(Br)c(CC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.47
PPARA Q07869 2/20 0.47
ESR1 P03372 2/20 0.47
ADRA2A P08913 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
TACR2 P21452 2/20 0.47
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SHBG P04278 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
HSPD1 P10809 1/20 0.47
ADRB3 P13945 1/20 0.47
HTR2C P28335 1/20 0.47
HSPE1 P61604 1/20 0.47
HIF1A Q16665 1/20 0.47

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
SCHEMBL22748395 1.00 KAT8 (0.47) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL10084834 0.86 KAT8 (0.47) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL28434232 0.85 RARB (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL22748228 0.80 SKP2 (0.58) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL17418137 0.80 ESR1 (0.48) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL22748331 0.80 SKP2 (0.58) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL38661210 0.80 SKP2 (0.58) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL9016216 0.80 ESR1 (0.48) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL10415499 0.80 KAT8 (0.49) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL4737345 0.79 GPR3 (0.54) KAT8PPARAESR1ADRA2AADORA3

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-4014964-A1 TOPICAL FORMULATION Almirall S.A. (ES) 2022-06-22 EP disclosed
WO-2020245297-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed