SCHEMBL17978124

SCHEMBL17978124

COc1cccc(C=COC(=O)c2cccc(C(=O)O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
ALDH1A1 P00352 3/20 0.51
MAOB P27338 2/20 0.51
KMT2A Q03164 2/20 0.51
FOS P01100 1/20 0.51
JUN P05412 1/20 0.51
MEN1 O00255 1/20 0.51
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1B1 Q16678 2/20 0.48
CYP3A4 P08684 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MITF O75030 1/20 0.48
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL17978123 0.95 BCHE (0.59) BCHEALDH1A1MAOBKMT2AFOS
SCHEMBL28089611 0.91 BCHE (0.66) BCHEALDH1A1MAOBKMT2AFOS
SCHEMBL2400795 0.84 BCHE (0.68) BCHEALDH1A1MAOBKMT2AFOS
SCHEMBL2400804 0.84 BCHE (0.68) BCHEALDH1A1MAOBKMT2AFOS
SCHEMBL11138151 0.82 TTR (0.55) BCHEP4HB
SCHEMBL28305859 0.80 MAOB (0.47) BCHEALDH1A1MAOBCYP1A2CYP2D6
SCHEMBL2400852 0.77 RELA (0.68) BCHEALDH1A1MAOBKMT2AFOS
SCHEMBL2400847 0.77 RELA (0.68) BCHEALDH1A1MAOBKMT2AFOS
SCHEMBL3994879 0.77 BCHE (0.62) BCHEALDH1A1MAOBKMT2AFOS
SCHEMBL2400107 0.77 BCHE (0.62) BCHEALDH1A1MAOBKMT2AFOS

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-3256468-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2017-12-20 EP disclosed
WO-2016127924-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-18 WO disclosed