SCHEMBL8081340

SCHEMBL8081340

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

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.42
AKR1B1 P15121 2/20 0.42
PGR P06401 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.38
DGAT1 O75907 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8081350 1.00 POLB (0.44) POLBNPC1RAB9ACYP1A2AKR1B1
SCHEMBL8081209 0.87 MAPT (0.44) NPC1RAB9APGRALDH1A1MAPT
SCHEMBL8087323 0.82 NPC1 (0.64) POLBNPC1RAB9APGRALDH1A1
SCHEMBL17241148 0.73 CYP1A2 (0.52) POLBCYP1A2AKR1B1ALDH1A1MAPT
SCHEMBL8082178 0.72 LMNA (0.44) NPC1ALDH1A1MAPTKMT2A
SCHEMBL2948683 0.70 POLB (0.54) POLBALDH1A1KMT2ADGAT1
SCHEMBL8082109 0.70 NPC1 (0.59) NPC1RAB9APGRALDH1A1MAPT
SCHEMBL3455798 0.70 NPC1 (0.59) NPC1RAB9APGRALDH1A1KMT2A
SCHEMBL20591945 0.69 MAPT (0.47) POLBCYP1A2ALDH1A1MAPTKMT2A
SCHEMBL6363105 0.67 ALDH1A1 (0.50) POLBNPC1RAB9AALDH1A1MAPT

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