SCHEMBL13281096

SCHEMBL13281096

NC1CCCC(N)(Cc2ccco2)C1Cc1ccco1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.31
▸ GAA P10253 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ TSHR P16473 2/20 0.30
▸ GBA1 P04062 1/20 0.30
▸ MEN1 O00255 3/20 0.30
▸ KMT2A Q03164 3/20 0.30
▸ HTT P42858 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ NPSR1 Q6W5P4 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5863707 0.70 USP2 (0.46) USP2ALDH1A1GAALMNATSHR
SCHEMBL13280659 0.68 TSHR (0.41) USP2ALDH1A1GAAGLALMNA
SCHEMBL9959950 0.65 ATM (0.40) LMNAKMT2A
SCHEMBL13281104 0.65 USP2 (0.41) USP2ALDH1A1GAALMNATSHR
SCHEMBL21335141 0.64 USP2 (0.49) USP2ALDH1A1GAALMNATSHR
SCHEMBL28857817 0.63 — —
SCHEMBL8522199 0.62 USP2 (0.56) USP2ALDH1A1GAALMNATSHR
SCHEMBL13280579 0.61 MEN1 (0.43) USP2ALDH1A1GAALMNATSHR
SCHEMBL17033080 0.60 ALDH1A1 (0.40) USP2ALDH1A1GAAGLALMNA
SCHEMBL11538620 0.59 USP2 (0.48) USP2ALDH1A1GAALMNATSHR

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
EP-2697347-A1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES Firmenich SA (CH) 2014-02-19 — — EP disclosed
WO-2012139912-A1 EQUILIBRATED DYNAMIC MIXTURES TO CONTROL THE RELEASE OF PERFUMING ALDEHYDES AND KETONES FIRMENICH SA (CH) 2012-10-18 — — WO disclosed
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