SCHEMBL14535540

SCHEMBL14535540

CBc1cccc(Cn2cc(C(=O)c3ccc(C4OCCCO4)cc3)c(=O)c3ccccc32)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.51
TP53 P04637 3/20 0.46
MAPT P10636 3/20 0.42
CNR2 P34972 10/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.39
LMNA P02545 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
SCHEMBL1074562 0.89 ACKR3 (0.64) ACKR3TP53MAPTCNR2SMN1; SMN2
SCHEMBL1083680 0.80 ACKR3 (0.64) ACKR3TP53MAPTCNR2SMN1; SMN2
SCHEMBL13069582 0.77 ACKR3 (0.57) ACKR3TP53MAPTCNR2SMN1; SMN2
SCHEMBL13069569 0.77 ACKR3 (0.52) ACKR3TP53MAPTCNR2SMN1; SMN2
SCHEMBL1072678 0.77 ACKR3 (0.59) ACKR3TP53CNR2LMNA
SCHEMBL14535383 0.77 CNR2 (0.47) ACKR3TP53CNR2LMNA
SCHEMBL12707327 0.77 ACKR3 (0.52) ACKR3TP53MAPTCNR2
SCHEMBL14535528 0.77 ACKR3 (0.52) ACKR3TP53MAPTCNR2LMNA
SCHEMBL1074465 0.76 ACKR3 (0.62) ACKR3TP53MAPTCNR2SMN1; SMN2
SCHEMBL13069028 0.73 ACKR3 (0.48) ACKR3TP53MAPTCNR2LMNA

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-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed