SCHEMBL16615380

SCHEMBL16615380

CCCCCCc1ccc(N(c2ccc(CCCCCC)cc2)c2c(C)cc(C)cc2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 4/20 0.49
LIPG Q9Y5X9 4/20 0.49
PTGS2 P35354 3/20 0.49
ESR1 P03372 2/20 0.49
ADRA2A P08913 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
TACR2 P21452 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CYP3A4 P08684 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
MGLL Q99685 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SHBG P04278 1/20 0.49
TP53 P04637 1/20 0.49
HSPD1 P10809 1/20 0.49
ADRB3 P13945 1/20 0.49

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
SCHEMBL19996207 0.92 PTGS2 (0.43) LPLLIPGPTGS2ESR1ADRA2A
SCHEMBL16682984 0.90 PTGS2 (0.44) LPLLIPGPTGS2ESR1ADRA2A
SCHEMBL16615343 0.88 RARB (0.48) LPLLIPGPTGS2ESR1ADRA2A
SCHEMBL16615338 0.88 PTGS2 (0.46) LPLLIPGPTGS2ESR1ADRA2A
SCHEMBL16615349 0.86 RARB (0.47) LPLLIPGPTGS2ESR1ADRA2A
SCHEMBL13197742 0.85 SKP2 (0.44) LPLLIPGCYP3A4ALDH1A1TP53
SCHEMBL12313694 0.85 SKP2 (0.46) PTGS2CYP3A4TP53KCNH2CYP2D6
SCHEMBL16682950 0.84 SKP2 (0.42) LPLLIPGPTGS2ESR1ADRA2A
SCHEMBL12593358 0.83 SKP2 (0.47) PTGS2CYP3A4ALDH1A1TP53KCNH2
SCHEMBL15854847 0.83 SKP2 (0.47) PTGS2CYP3A4ALDH1A1TP53KCNH2

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
US-20160218291-A1 POLYMER AND ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2016-07-28 US disclosed
WO-2015044656-A1 POLYMER AND ORGANIC LIGHT EMITTING DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-04-02 WO disclosed