SCHEMBL13281104

SCHEMBL13281104

NNC1(Cc2ccco2)CCCCC1Cc1ccco1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.41
▸ TSHR P16473 8/20 0.35
▸ LMNA P02545 3/20 0.35
▸ GAA P10253 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ OPRD1 P41143 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL2761904 0.73 MAOA (0.39) HPGD
SCHEMBL13280659 0.68 TSHR (0.41) USP2TSHRLMNAGAAALDH1A1
SCHEMBL8522199 0.66 USP2 (0.56) USP2TSHRLMNAGAAHPGD
SCHEMBL13281096 0.65 USP2 (0.35) USP2TSHRLMNAGAAALDH1A1
SCHEMBL5863707 0.64 USP2 (0.46) USP2TSHRLMNAGAAHPGD
SCHEMBL21335141 0.64 USP2 (0.49) USP2TSHRLMNAGAAHPGD
SCHEMBL8821797 0.64 TSHR (0.33) TSHRALDH1A1KMT2AMEN1
SCHEMBL28857817 0.63 — —
SCHEMBL32675261 0.62 LMNA (0.56) USP2TSHRLMNAGAAHPGD
SCHEMBL17033080 0.60 ALDH1A1 (0.40) USP2TSHRLMNAGAAHPGD

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
Send feedback