SCHEMBL7716183

SCHEMBL7716183

Cc1cc2ccccc2c(Nc2ccc(C[C@](C)(Nc3c(OC(C)C)c(=O)c3=O)C(=O)O)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
GUSB P08236 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL7716184 0.90 MAPT (0.35) MAPTMEN1KMT2ATP53P2RX3
SCHEMBL7716187 0.90 MAPT (0.35) MAPTMEN1KMT2ATP53P2RX3
SCHEMBL7716169 0.80 ELANE (0.40) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL7716179 0.80 ELANE (0.40) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL7710685 0.78 ALDH1A1 (0.34) MAPTMEN1KMT2AKDM4ENPSR1
SCHEMBL7716173 0.78 MAPT (0.37) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL7714244 0.76 ACP1 (0.36) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL7714237 0.76 ACP1 (0.36) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL7105529 0.76 KMT2A (0.34) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL7714207 0.74 ITGB1 (0.42)

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-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed