SCHEMBL8087323

SCHEMBL8087323

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

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
PGR P06401 1/20 0.57
POLB P06746 1/20 0.49
DGAT1 O75907 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
SPHK2 Q9NRA0 1/20 0.44
RAD52 P43351 1/20 0.43

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
SCHEMBL8082109 0.86 NPC1 (0.59) NPC1RAB9APGRLMNAALDH1A1
SCHEMBL3455798 0.86 NPC1 (0.59) NPC1RAB9APGRLMNAALDH1A1
SCHEMBL2948683 0.83 POLB (0.54) POLBDGAT1LMNAALDH1A1MEN1
SCHEMBL8081340 0.82 POLB (0.44) NPC1RAB9APGRPOLBDGAT1
SCHEMBL8081350 0.82 POLB (0.44) NPC1RAB9APGRPOLBDGAT1
SCHEMBL3456233 0.81 LMNA (0.74) NPC1RAB9APGRLMNAALDH1A1
SCHEMBL3540640 0.81 NPC1 (0.69) NPC1RAB9APGRPOLBDGAT1
SCHEMBL18992826 0.79 NPC1 (1.00) NPC1RAB9APGRLMNAALDH1A1
SCHEMBL18992722 0.76 NPC1 (0.69) NPC1RAB9APGRPOLBLMNA
SCHEMBL2945737 0.76 MEN1 (0.53) POLBDGAT1LMNAALDH1A1MEN1

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