SCHEMBL27916352

SCHEMBL27916352

CCC(NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.62
▸ ACE P12821 3/20 0.61
▸ ECE1 P42892 8/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ APAF1 O14727 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ ITGB2 P05107 1/20 0.58
▸ ICAM1 P05362 1/20 0.58
▸ ITGAL P20701 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL7222741 0.89 ALOX15 (0.66) ALOX15ACEECE1KDM4EAPAF1
SCHEMBL29114797 0.86 ACE (0.65) ALOX15ACEECE1KDM4EAPAF1
SCHEMBL28982976 0.85 ALOX15 (0.64) ALOX15ACEECE1KDM4EAPAF1
SCHEMBL19737124 0.85 ACE (0.70) ALOX15ACEECE1KDM4EAPAF1
SCHEMBL15592745 0.85 ACE (0.70) ALOX15ACEECE1KDM4EAPAF1
SCHEMBL16750046 0.85 ACE (0.70) ALOX15ACEECE1KDM4EAPAF1
SCHEMBL1263822 0.85 KDM4E (0.72) ALOX15ACEECE1KDM4EAPAF1
SCHEMBL1263833 0.85 KDM4E (0.72) ALOX15ACEECE1KDM4EAPAF1
SCHEMBL5869554 0.84 ALOX15 (0.63) ALOX15ACEECE1KDM4EAPAF1
SCHEMBL8248646 0.84 ALOX15 (0.63) ALOX15ACEECE1KDM4EAPAF1

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
CN-103278579-B Plasma metabolism micromolecular marker related to human intestinal canal aganglionosis and application of plasma metabolism micromolecular marker XIA YANKAI 2015-02-11 — — CN disclosed
CN-103278579-A Plasma metabolism micromolecular marker related to human intestinal canal aganglionosis and application of plasma metabolism micromolecular marker XIA YANKAI 2013-09-04 — — CN disclosed
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