SCHEMBL28114876

SCHEMBL28114876

Oc1ccc(-c2ccc(Cl)cc2-c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
MMP3 P08254 1/20 0.52
BCL2L1 Q07817 1/20 0.52
ABL1 P00519 2/20 0.52
ABCB1 P08183 2/20 0.52
BCR P11274 2/20 0.52
ESR2 Q92731 4/20 0.48
CYP1A2 P05177 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ESR1 P03372 5/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.45
BACE1 P56817 1/20 0.45
USP7 Q93009 2/20 0.44

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
SCHEMBL6564638 0.88 CYP1A2 (0.61) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL9509941 0.88 CYP1A2 (0.61) CYP1A2MEN1KMT2ALMNAMAPT
SCHEMBL20023630 0.88 CYP1A2 (0.61) ESR2CYP1A2MEN1KMT2ALMNA
SCHEMBL5050876 0.88 CYP1A2 (0.52) ALOX5CYP1A2MEN1KMT2AHPGD
SCHEMBL31677416 0.84 S100A4 (0.57) CYP1A2MEN1KMT2AHPGDMAPK1
SCHEMBL8450699 0.84 ALOX5 (0.68) ALOX5MMP3BCL2L1ABL1ABCB1
SCHEMBL3276100 0.84 ALOX5 (0.68) ALOX5MMP3BCL2L1ABL1ABCB1
SCHEMBL16581499 0.82 MMP3 (0.65) ALOX5MMP3BCL2L1ABL1ABCB1
SCHEMBL5523942 0.82 MMP3 (0.65) ALOX5MMP3BCL2L1ABL1ABCB1
SCHEMBL28118263 0.82 MMP3 (0.65) ALOX5MMP3BCL2L1ABL1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106220994-A A kind of high intensity PP RCT anti-flaming tubular product and preparation method 刘志光 2016-12-14 CN disclosed