SCHEMBL9686817

SCHEMBL9686817

CCOc1ccc(C(C)(C)CO)nn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.33
EDNRA P25101 1/20 0.32
ACACB O00763 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC5A2 P31639 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
SCHEMBL14174627 0.82 MAPT (0.43) HTTMAPTSMN1; SMN2POLBLMNA
SCHEMBL4266171 0.77 HTT (0.53) HTTMAPTSMN1; SMN2POLBMEN1
SCHEMBL24271913 0.77 HTT (0.41) HTTMAPTSMN1; SMN2POLBLMNA
SCHEMBL11360625 0.77 MAPT (0.42) HTTMAPTSMN1; SMN2POLBLMNA
SCHEMBL19364256 0.71 HTT (0.42) HTTMAPTSMN1; SMN2ACACBALDH1A1
SCHEMBL9686368 0.71 LMNA (0.37) MAPTLMNAKMT2AALDH1A1
SCHEMBL13576998 0.67 HTT (0.46) HTTMAPTSMN1; SMN2POLBLMNA
SCHEMBL29761634 0.67 HTT (0.46) HTTMAPTSMN1; SMN2POLBLMNA
SCHEMBL21017076 0.67 SMN1; SMN2 (0.48) HTTMAPTSMN1; SMN2POLBLMNA
SCHEMBL9373222 0.66 HTT (0.45) HTTMAPTSMN1; SMN2POLBLMNA

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
CN-1091425-A Heterocyclic neophenan analogs, process for their preparation and their use as pesticides HOECHST AG (DE) 1994-08-31 CN disclosed
EP-0288810-B1 HETEROCYCLIC NEOPHANE ANALOGS, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed
US-4966902-A INSECTICIDES, MITICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-30 US disclosed