SCHEMBL8648264

SCHEMBL8648264

COC(=O)C1(C(=O)O)Cc2cc(CC(C)=O)ccc2N1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
TACR1 P25103 1/20 0.32
TACR3 P29371 1/20 0.32
LMNA P02545 5/20 0.32
TP53 P04637 3/20 0.32
GAA P10253 2/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 3/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 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
SCHEMBL8647457 0.95 LMNA (0.33) MAPTPTGS1AKR1C3AKR1C2TACR1
SCHEMBL8645908 0.89 MAPT (0.35) MAPTPTGS1AKR1C3AKR1C2TACR1
SCHEMBL8645900 0.86 MAPT (0.34) MAPTPTGS1AKR1C3AKR1C2TACR1
SCHEMBL8647012 0.86 LMNA (0.33) MAPTPTGS1AKR1C3AKR1C2TACR1
SCHEMBL8647005 0.83 LMNA (0.34) MAPTLMNATP53POLBHDAC1
SCHEMBL8644950 0.83 AMPD2 (0.38) MAPTTACR1TACR3POLB
SCHEMBL8645861 0.82 MAPT (0.44) MAPTLMNATP53GAAPOLB
SCHEMBL8644943 0.81 AMPD2 (0.39) TACR1TACR3POLBHDAC1HDAC6
SCHEMBL8645856 0.81 MAPT (0.40) MAPTLMNATP53GAAPOLB
SCHEMBL8647266 0.81 KMT2A (0.37) TACR1TACR3LMNAGAAALDH1A1

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