SCHEMBL6893522

SCHEMBL6893522

CCc1nc2cc(C(C)O)ccc2n1-c1ccc(CCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CRBN Q96SW2 1/20 0.35
NTRK1 P04629 1/20 0.35
NTRK2 Q16620 1/20 0.35
PDE10A Q9Y233 3/20 0.34
UCHL3 P15374 1/20 0.34
POLB P06746 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALDH1A2 O94788 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH1A3 P47895 1/20 0.33
PTGER4 P35408 1/20 0.33

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
SCHEMBL6890772 0.90 ESR1 (0.39) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL6897495 0.90 ESR1 (0.39) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL27600093 0.89 SMN1; SMN2 (0.42) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL3949257 0.87 ESR1 (0.40) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL27600095 0.87 ESR1 (0.39) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL1625182 0.84 PDE10A (0.47) ESR1ESR2TP53MAPTNTRK1
SCHEMBL1625487 0.83 SMN1; SMN2 (0.39) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL1626020 0.82 PPARG (0.41) ESR1ESR2SMN1; SMN2TP53MAPT
SCHEMBL1625031 0.82 KMT2A (0.47) ESR1ESR2TP53MAPTPPARG
SCHEMBL1623705 0.82 AGTR1 (0.43) ESR1ESR2TP53MAPTMEN1

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
US-6710054-B2 CONTAINING SULFONYLAMINOCARBONYL GROUPS; PROSTAGLANDIN INHIBITORS PFIZER INC 2004-03-23 US disclosed