SCHEMBL8647012

SCHEMBL8647012

CCN1c2ccc(CC(C)=O)cc2CC1(C(=O)O)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 5/20 0.32
PTGS1 P23219 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
TACR1 P25103 1/20 0.31
TACR3 P29371 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL8647005 0.95 LMNA (0.34) LMNATP53MAPTPOLBTHRB
SCHEMBL8644950 0.88 AMPD2 (0.38) MAPTTACR1TACR3POLB
SCHEMBL8648264 0.86 MAPT (0.33) LMNATP53MAPTPTGS1AKR1C3
SCHEMBL8645908 0.85 MAPT (0.35) LMNATP53MAPTPTGS1AKR1C3
SCHEMBL8644943 0.84 AMPD2 (0.39) TACR1TACR3POLB
SCHEMBL8647457 0.83 LMNA (0.33) LMNATP53MAPTPTGS1AKR1C3
SCHEMBL8647255 0.82 TUBB4A (0.35) MAPTALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL8645900 0.82 MAPT (0.34) LMNATP53MAPTPTGS1AKR1C3
SCHEMBL8645861 0.80 MAPT (0.44) LMNATP53MAPTALDH1A1TSHR
SCHEMBL8645856 0.79 MAPT (0.40) LMNATP53MAPTALDH1A1TSHR

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
US-5843972-A Heterocyclic β-adrenergic agonists PFIZER INC. (US) 1998-12-01 US disclosed
EP-0801060-A1 Heterocyclic Beta-3 Adrenergenic Agonists PFIZER INC. (US) 1997-10-15 EP disclosed