SCHEMBL7994381

SCHEMBL7994381

CCOc1ccc(C(N)CC(=O)NC(=O)c2cccc(OC)c2)cc1OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
GPR139 Q6DWJ6 2/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL7994479 0.88 MAPT (0.46) NPSR1MAPTLMNASMN1; SMN2TAS1R3
SCHEMBL8863111 0.88 NPSR1 (0.55) NPSR1MAPTLMNASMN1; SMN2PDE4A
SCHEMBL7867583 0.83 NPSR1 (0.58) NPSR1MAPTLMNASMN1; SMN2TAS1R3
SCHEMBL7874393 0.80 NPSR1 (0.57) NPSR1MAPTLMNASMN1; SMN2TAS1R3
SCHEMBL7867322 0.80 KMT2A (0.63) NPSR1MAPTLMNASMN1; SMN2TAS1R3
SCHEMBL825343 0.78 SMN1; SMN2 (0.49) NPSR1MAPTLMNASMN1; SMN2PDE4A
SCHEMBL7874397 0.76 ALDH1A1 (0.56) NPSR1MAPTLMNASMN1; SMN2TAS1R3
SCHEMBL16496178 0.76 ROCK2 (0.47) MAPTLMNAKMT2AGAA
Hydrochloric Acid SCHEMBL21494472 0.75 PDE4A (0.52) NPSR1MAPTLMNASMN1; SMN2PDE4A
SCHEMBL21494483 0.74 PDE4A (0.60) NPSR1MAPTLMNASMN1; SMN2PDE4A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284780-B1 PREVENT TUMOR NECROSIS FACTOR RETROVIRUS REPRODUCTION CELGENE CORPORATION 2001-09-04 US disclosed
EP-0800505-A1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORPORATION (US) 1997-10-15 EP disclosed
WO-1996020915-A1 NOVEL IMMUNOTHERAPEUTIC ARYL AMIDES CELGENE CORPORATION (US) 1996-07-11 WO disclosed