SCHEMBL17715075

SCHEMBL17715075

C=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)o2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 1/20 0.69
▸ TDP1 Q9NUW8 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ APEX1 P27695 1/20 0.57
▸ ITGB2 P05107 4/20 0.53
▸ ITGAM P11215 4/20 0.53
▸ STAT3 P40763 1/20 0.52
▸ POLB P06746 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ L3MBTL1 Q9Y468 4/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ PKM P14618 3/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ LCK P06239 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ PTPN22 Q9Y2R2 3/20 0.48
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ CASP3 P42574 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
SCHEMBL16687571 0.91 ENPP2 (0.82) ENPP2TDP1MAPTKDM4EAPEX1
SCHEMBL12177177 0.88 ENPP2 (0.64) ENPP2TDP1MAPTKDM4EAPEX1
SCHEMBL16639750 0.87 ENPP2 (0.63) ENPP2TDP1MAPTKDM4EAPEX1
SCHEMBL12177183 0.84 ENPP2 (0.60) ENPP2TDP1MAPTKDM4EAPEX1
SCHEMBL684272 0.82 ENPP2 (0.83) ENPP2TDP1MAPTKDM4EAPEX1
SCHEMBL4892919 0.82 STAT3 (0.75) ENPP2TDP1MAPTKDM4EAPEX1
SCHEMBL4892925 0.82 STAT3 (0.75) ENPP2TDP1MAPTKDM4EAPEX1
SCHEMBL684546 0.82 ENPP2 (1.00) ENPP2TDP1MAPTKDM4EAPEX1
SCHEMBL16639749 0.81 KMT2A (0.72) ENPP2TDP1MAPTITGB2ITGAM
SCHEMBL12177765 0.81 ENPP2 (0.78) ENPP2TDP1MAPTKDM4EAPEX1

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
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 — — US disclosed
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