SCHEMBL8398977

SCHEMBL8398977

NN=C1C2CC3CC(C2)CC1C3

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.42
GAA P10253 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL13785535 0.71 KDM4E (0.40) KDM4EALDH1A1LMNANPC1GAA
SCHEMBL1072568 0.71 KDM4E (0.45) KDM4EALDH1A1LMNANPC1GAA
SCHEMBL10298155 0.65 KDM4E (0.36) KDM4EALDH1A1LMNANPC1
SCHEMBL14950267 0.65 ALDH1A1 (0.50) KDM4EALDH1A1LMNANPC1GAA
SCHEMBL10798452 0.64 KDM4E (0.50) KDM4EALDH1A1LMNANPC1GAA
SCHEMBL2815843 0.63 TSHR (0.38) KDM4EALDH1A1LMNANPC1TSHR
SCHEMBL10298199 0.62 KDM4E (0.38) KDM4EALDH1A1LMNANPC1GAA
Adamantane SCHEMBL29229320 0.60 LMNA (0.40) LMNATSHR
Adamantane SCHEMBL1527414 0.59 CYP2C9 (0.46) LMNATSHR
Adamantane SCHEMBL12761 0.59 CYP2C9 (0.46) LMNATSHR

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
US-5994552-A Process for the production of substituted thiazoline-dioxetan substrates and use thereof ROCHE DIAGNOSTICS GMBH (DE) 1999-11-30 US claimed
US-5994552-A Process for the production of substituted thiazoline-dioxetan substrates and use thereof ROCHE DIAGNOSTICS GMBH (DE) 1999-11-30 US disclosed
US-5712106-A Process for the production of substituted thiazolin-dioxetan substrates and use thereof BOEHRINGER MANNHEIM GMBH (DE) 1998-01-27 US disclosed
US-5455357-A Substituted thiazoline-dioxetan substrates, process for the production and use BOEHRINGER MANNHEIM GMBH (DE) 1995-10-03 US disclosed
EP-0591489-A1 SUBSTITUTED THIAZOLINE-DIOXETANE-SUBSTRATES, PROCESS FOR PRODUCING THE SAME AND THEIR USE BOEHRINGER MANNHEIM GMBH (DE) 1994-04-13 EP disclosed
WO-1993020083-A1 SUBSTITUTED THIAZOLINE-DIOXETANE-SUBSTRATES, PROCESS FOR PRODUCING THE SAME AND THEIR USE BOEHRINGER MANNHEIM GMBH (DE) 1993-10-14 WO disclosed