SCHEMBL3988975

SCHEMBL3988975

CC(C)(Cc1cccc(CC(=O)N2CCC3(CC2)OCCO3)c1)NCC(O)c1cc(O)cc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 16/20 0.44
ADRB1 P08588 5/20 0.41
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3923032 0.88 ADRB2 (0.47) ADRB2ADRB1TSHRLMNACYP3A4
SCHEMBL3913912 0.87 ADRB2 (0.47) ADRB2ADRB1TSHRLMNACYP3A4
SCHEMBL3913917 0.87 ADRB2 (0.49) ADRB2ADRB1TSHRLMNACYP3A4
SCHEMBL3918574 0.86 ADRB2 (0.46) ADRB2ADRB1TSHRLMNACYP3A4
SCHEMBL3913331 0.86 ADRB2 (0.47) ADRB2ADRB1TSHRLMNACYP3A4
SCHEMBL3992464 0.86 ADRB2 (0.49) ADRB2ADRB1TSHRLMNACYP3A4
SCHEMBL3915206 0.83 ADRB2 (0.43) ADRB2ADRB1ALDH1A1
SCHEMBL3915484 0.83 ADRB2 (0.45) ADRB2ADRB1TSHRLMNACYP3A4
SCHEMBL3912467 0.82 ADRB2 (0.47) ADRB2ADRB1TSHRLMNACYP3A4
SCHEMBL3987796 0.82 ADRB2 (0.47) ADRB2ADRB1TSHRLMNACYP3A4

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
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 EP claimed