SCHEMBL18028982

SCHEMBL18028982

CCN(CC)c1cccc2cc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.47
▸ AHR P35869 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ BACE1 P56817 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NR3C1 P04150 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ NR3C2 P08235 1/20 0.40
▸ AR P10275 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ REN P00797 2/20 0.39
▸ ELANE P08246 1/20 0.35

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
SCHEMBL29082200 0.79 KDM4E (0.50) BCHEAHRKDM4EMAPTBACE1
SCHEMBL27757985 0.71 BCHE (0.45) BCHEAHRKDM4EMAPTBACE1
SCHEMBL6315677 0.71 AHR (0.47) BCHEAHRBACE1KEAP1NR3C1
SCHEMBL29851874 0.71 MAPT (0.56) KDM4EMAPTKMT2AELANE
SCHEMBL8680185 0.71 MAPT (0.56) KDM4EMAPTKMT2AELANE
SCHEMBL593512 0.71 AHR (0.50) BCHEAHRBACE1KEAP1NR3C1
SCHEMBL6089123 0.70 NR3C1 (0.51) BCHEAHRKDM4EMAPTKMT2A
Methane SCHEMBL27929614 0.69 AHR (0.48) BCHEAHRBACE1KEAP1NR3C1
SCHEMBL517207 0.68 SIGMAR1 (0.54) KDM4EMAPTKMT2AELANE
SCHEMBL29657743 0.68 SIGMAR1 (0.54) KDM4EMAPTKMT2AELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 — — WO disclosed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 — — WO disclosed
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