SCHEMBL27550697

SCHEMBL27550697

Cc1c(C(=O)O)ccc(OCc2ccccc2)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.60
L3MBTL1 Q9Y468 3/20 0.59
MAPT P10636 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
FOLH1 Q04609 2/20 0.54
MCL1 Q07820 2/20 0.52
MAPK1 P28482 1/20 0.51
EDNRA P25101 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
RXRA P19793 2/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
CA9 Q16790 1/20 0.48

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
Styrene SCHEMBL27871650 0.90 PTGER1 (0.51) PTGER1L3MBTL1MAPTTDP1CYP2C9
Nitrobenzene SCHEMBL28085437 0.89 PTGER1 (0.50) PTGER1L3MBTL1MAPTTDP1CYP2C9
SCHEMBL9540402 0.88 L3MBTL1 (0.67) PTGER1L3MBTL1MAPTTDP1CYP2C9
SCHEMBL383027 0.88 L3MBTL1 (0.56) PTGER1L3MBTL1MAPTTDP1CYP2C9
SCHEMBL24983833 0.85 PTGER1 (0.60) PTGER1L3MBTL1MAPTTDP1CYP2C9
SCHEMBL30141251 0.85 PTGER1 (0.60) PTGER1L3MBTL1MAPTTDP1CYP2C9
SCHEMBL31177876 0.84 MCL1 (0.61) PTGER1L3MBTL1MAPTTDP1CYP2C9
SCHEMBL5467535 0.82 PTGER1 (0.58) PTGER1L3MBTL1MAPTTDP1CYP2C9
SCHEMBL6286054 0.82 L3MBTL1 (0.81) PTGER1L3MBTL1MAPTTDP1CYP2C9
SCHEMBL27703867 0.82 L3MBTL1 (0.63) PTGER1L3MBTL1MAPTTDP1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1164574-C Phenoxypropylamine compounds ������ҩ��ʽ���� 2004-09-01 CN disclosed
CN-1481372-A 1,1-dioxo-2H-1,2-benzothiazine-3-carboxamide derivatives, method for preparing same and pharmaceutical compsns comprising same ɪά��ʵ���� 2004-03-10 CN disclosed
CN-1378533-A Phenoxypropylamine compounds MITSUBISHI PHARMACEUTICAL CO L (JP) 2002-11-06 CN disclosed