SCHEMBL30454596

SCHEMBL30454596

CCC(O)c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ADRB1 P08588 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRB3 P13945 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
SHBG P04278 1/20 0.44
PDE2A O00408 1/20 0.43
PDPK1 O15530 1/20 0.38
KCNQ2 O43526 1/20 0.37
MME P08473 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36

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
SCHEMBL16560286 1.00 LMNA (0.48) LMNAADRB1ADRA2AADRB3ADRA2B
SCHEMBL14373886 1.00 LMNA (0.48) LMNAADRB1ADRA2AADRB3ADRA2B
SCHEMBL808662 1.00 LMNA (0.48) LMNAADRB1ADRA2AADRB3ADRA2B
SCHEMBL17947385 0.84 LMNA (0.45) LMNAADRB1ADRA2AADRB3ADRA2B
SCHEMBL20202580 0.84 LMNA (0.45) LMNAADRB1ADRA2AADRB3ADRA2B
SCHEMBL8257922 0.84 LMNA (0.45) LMNAADRB1ADRA2AADRB3ADRA2B
SCHEMBL31607076 0.83 ADRB1 (0.47) ADRB1ADRA2AADRB3ADRA2BADRA2C
SCHEMBL23231419 0.82 LMNA (0.44) LMNAADRB1ADRA2AADRB3ADRA2B
SCHEMBL18406260 0.82 LMNA (0.44) LMNAADRB1ADRA2AADRB3ADRA2B
SCHEMBL8282358 0.82 LMNA (0.44) LMNAADRB1ADRA2AADRB3ADRA2B

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
WO-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 WO disclosed