SCHEMBL8081209

SCHEMBL8081209

COC(=O)CC12CC3CC(C1)CC(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])(C3)C2

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
RAD52 P43351 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX4 Q99571 1/20 0.38
P2RX7 Q99572 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
PGR P06401 1/20 0.36

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
SCHEMBL8081340 0.87 POLB (0.44) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL8081350 0.87 POLB (0.44) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL8082178 0.86 LMNA (0.44) MAPTLMNAMAPK1L3MBTL1NPC1
SCHEMBL8082109 0.84 NPC1 (0.59) MAPTLMNANPC1RAB9ANPSR1
SCHEMBL20591945 0.73 MAPT (0.47) MAPTLMNAMAPK1L3MBTL1NPSR1
SCHEMBL2257606 0.72 LMNA (0.56) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL8087323 0.70 NPC1 (0.64) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL2255527 0.70 MEN1 (0.52) LMNAMEN1KMT2AHTTRAD52
SCHEMBL3455798 0.69 NPC1 (0.59) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL2255114 0.69 HIF1A (0.48) LMNAMEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702689-B1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR 3-PHENYL-1-ADAMANTANEACETIC ACIDS ABBOTT LAB (US) 2000-10-11 EP disclosed
EP-0702689-A4 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR 3-PHENYL-1-ADAMANTANEACETIC ACIDS ABBOTT LAB (US) 1997-10-22 EP disclosed
US-5616505-A Haptens tracers, immunogens and antibodies for 3-phenyl-1-adamantaneacetic acids ABBOTT LABORATORIES (US) 1997-04-01 US disclosed
EP-0702689-A1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR 3-PHENYL-1-ADAMANTANEACETIC ACIDS ABBOTT LABORATORIES (US) 1996-03-27 EP disclosed
US-5424414-A Haptens, tracers, immunogens and antibodies for 3-phenyl-1-adamantaneacetic acids ABBOTT LABORATORIES (US) 1995-06-13 US disclosed
WO-1994029329-A1 HAPTENS, TRACERS, IMMUNOGENS AND ANTIBODIES FOR 3-PHENYL-1-ADAMANTANEACETIC ACIDS ABBOTT LABORATORIES (US) 1994-12-22 WO disclosed